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/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RydC_and_cfa_1741277-a41e1348/inputs/seq.fa: 2
curr_seq: _CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU_
curr_seq: _GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: CUUCCGAUGUAGACCCGUAUUCUUCGCCUGUACCACGGGUCGGUUUUAGUACAGGCGUUUUCUUU
chainId: B, chainSeq: GGCAAGGGUUCCUCCUUUCCCUCUGUUCUACGUCGGAUUAUAGACUCGCGGUUUUUUCUGCGAGAUUUCUCACAAAGCCCAAAAAGCGUCUACGCUGUU
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 65 nucleotides
chain B contains 99 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: 830
n_atoms_counter: 830
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 164.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 164.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -664.467077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.467077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.467077 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.000
local terms energy: -638.852289
where:
bonds (distance) C4'-P energy: -159.339
bonds (distance) P-C4' energy: -148.512
flat angles C4'-P-C4' energy: -120.413
flat angles P-C4'-P energy: -137.739
tors. eta vs tors. theta energy: -72.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -825.735136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.735136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.735136 (E_RNA)
where:
Base-Base interactions energy: -357.489
where: short stacking energy: -340.935
Base-Backbone interact. energy: -0.424
local terms energy: -467.821765
where:
bonds (distance) C4'-P energy: -101.004
bonds (distance) P-C4' energy: -108.298
flat angles C4'-P-C4' energy: -106.002
flat angles P-C4'-P energy: -72.519
tors. eta vs tors. theta energy: -79.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -778.598628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.598628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.598628 (E_RNA)
where:
Base-Base interactions energy: -317.923
where: short stacking energy: -317.923
Base-Backbone interact. energy: -0.031
local terms energy: -460.645184
where:
bonds (distance) C4'-P energy: -112.162
bonds (distance) P-C4' energy: -102.677
flat angles C4'-P-C4' energy: -109.279
flat angles P-C4'-P energy: -55.061
tors. eta vs tors. theta energy: -81.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -709.594509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.594509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.594509 (E_RNA)
where:
Base-Base interactions energy: -307.796
where: short stacking energy: -297.573
Base-Backbone interact. energy: -0.161
local terms energy: -401.637295
where:
bonds (distance) C4'-P energy: -97.768
bonds (distance) P-C4' energy: -93.324
flat angles C4'-P-C4' energy: -93.470
flat angles P-C4'-P energy: -52.332
tors. eta vs tors. theta energy: -64.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -680.391749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.391749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.391749 (E_RNA)
where:
Base-Base interactions energy: -261.185
where: short stacking energy: -258.007
Base-Backbone interact. energy: -0.201
local terms energy: -419.005807
where:
bonds (distance) C4'-P energy: -102.055
bonds (distance) P-C4' energy: -112.457
flat angles C4'-P-C4' energy: -87.736
flat angles P-C4'-P energy: -61.176
tors. eta vs tors. theta energy: -55.582
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -664.572436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.572436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.572436 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -33.687
Base-Backbone interact. energy: -0.000
local terms energy: -630.885522
where:
bonds (distance) C4'-P energy: -155.567
bonds (distance) P-C4' energy: -145.369
flat angles C4'-P-C4' energy: -119.408
flat angles P-C4'-P energy: -137.094
tors. eta vs tors. theta energy: -73.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -664.823643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.823643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.823643 (E_RNA)
where:
Base-Base interactions energy: -75.475
where: short stacking energy: -75.475
Base-Backbone interact. energy: -0.000
local terms energy: -589.348667
where:
bonds (distance) C4'-P energy: -129.612
bonds (distance) P-C4' energy: -130.533
flat angles C4'-P-C4' energy: -120.000
flat angles P-C4'-P energy: -129.250
tors. eta vs tors. theta energy: -79.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -672.332948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.332948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.332948 (E_RNA)
where:
Base-Base interactions energy: -85.767
where: short stacking energy: -85.767
Base-Backbone interact. energy: -0.000
local terms energy: -586.565486
where:
bonds (distance) C4'-P energy: -130.525
bonds (distance) P-C4' energy: -126.305
flat angles C4'-P-C4' energy: -122.273
flat angles P-C4'-P energy: -128.693
tors. eta vs tors. theta energy: -78.768
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -680.425665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.425665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.425665 (E_RNA)
where:
Base-Base interactions energy: -90.804
where: short stacking energy: -90.804
Base-Backbone interact. energy: -0.000
local terms energy: -589.621023
where:
bonds (distance) C4'-P energy: -132.376
bonds (distance) P-C4' energy: -129.882
flat angles C4'-P-C4' energy: -119.145
flat angles P-C4'-P energy: -130.829
tors. eta vs tors. theta energy: -77.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -667.669686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.669686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.669686 (E_RNA)
where:
Base-Base interactions energy: -78.944
where: short stacking energy: -78.944
Base-Backbone interact. energy: -0.000
local terms energy: -588.724997
where:
bonds (distance) C4'-P energy: -139.557
bonds (distance) P-C4' energy: -120.125
flat angles C4'-P-C4' energy: -122.332
flat angles P-C4'-P energy: -127.856
tors. eta vs tors. theta energy: -78.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -666.454558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.454558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.454558 (E_RNA)
where:
Base-Base interactions energy: -30.307
where: short stacking energy: -30.307
Base-Backbone interact. energy: -0.000
local terms energy: -636.147775
where:
bonds (distance) C4'-P energy: -158.226
bonds (distance) P-C4' energy: -146.413
flat angles C4'-P-C4' energy: -120.770
flat angles P-C4'-P energy: -137.375
tors. eta vs tors. theta energy: -73.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -859.569059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.569059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.569059 (E_RNA)
where:
Base-Base interactions energy: -368.889
where: short stacking energy: -355.562
Base-Backbone interact. energy: -0.333
local terms energy: -490.346710
where:
bonds (distance) C4'-P energy: -103.721
bonds (distance) P-C4' energy: -104.860
flat angles C4'-P-C4' energy: -107.907
flat angles P-C4'-P energy: -80.462
tors. eta vs tors. theta energy: -93.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -827.170046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.170046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.170046 (E_RNA)
where:
Base-Base interactions energy: -338.391
where: short stacking energy: -338.391
Base-Backbone interact. energy: -0.148
local terms energy: -489.327118
where:
bonds (distance) C4'-P energy: -107.276
bonds (distance) P-C4' energy: -106.336
flat angles C4'-P-C4' energy: -113.994
flat angles P-C4'-P energy: -63.526
tors. eta vs tors. theta energy: -98.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.696 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -688.604474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.604474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.604474 (E_RNA)
where:
Base-Base interactions energy: -256.563
where: short stacking energy: -248.992
Base-Backbone interact. energy: -0.227
local terms energy: -431.813616
where:
bonds (distance) C4'-P energy: -102.322
bonds (distance) P-C4' energy: -101.076
flat angles C4'-P-C4' energy: -100.865
flat angles P-C4'-P energy: -65.535
tors. eta vs tors. theta energy: -62.015
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -664.834179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.834179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.834179 (E_RNA)
where:
Base-Base interactions energy: -272.432
where: short stacking energy: -263.325
Base-Backbone interact. energy: -0.080
local terms energy: -392.321912
where:
bonds (distance) C4'-P energy: -99.512
bonds (distance) P-C4' energy: -98.605
flat angles C4'-P-C4' energy: -87.458
flat angles P-C4'-P energy: -60.228
tors. eta vs tors. theta energy: -46.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -648.367380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.367380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.367380 (E_RNA)
where:
Base-Base interactions energy: -240.276
where: short stacking energy: -230.358
Base-Backbone interact. energy: -0.785
local terms energy: -407.306401
where:
bonds (distance) C4'-P energy: -105.680
bonds (distance) P-C4' energy: -95.394
flat angles C4'-P-C4' energy: -102.435
flat angles P-C4'-P energy: -62.767
tors. eta vs tors. theta energy: -41.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -562.709039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.709039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.709039 (E_RNA)
where:
Base-Base interactions energy: -183.734
where: short stacking energy: -176.134
Base-Backbone interact. energy: -0.817
local terms energy: -378.158447
where:
bonds (distance) C4'-P energy: -102.417
bonds (distance) P-C4' energy: -104.222
flat angles C4'-P-C4' energy: -91.555
flat angles P-C4'-P energy: -54.703
tors. eta vs tors. theta energy: -25.261
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: 3
Temperature: 1.200000
Total energy: -543.846228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.846228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.846228 (E_RNA)
where:
Base-Base interactions energy: -179.983
where: short stacking energy: -173.265
Base-Backbone interact. energy: 1.020
local terms energy: -364.883171
where:
bonds (distance) C4'-P energy: -103.819
bonds (distance) P-C4' energy: -97.057
flat angles C4'-P-C4' energy: -89.930
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -29.237
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -501.631272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.631272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.631272 (E_RNA)
where:
Base-Base interactions energy: -174.890
where: short stacking energy: -165.850
Base-Backbone interact. energy: -0.919
local terms energy: -325.822966
where:
bonds (distance) C4'-P energy: -82.120
bonds (distance) P-C4' energy: -95.187
flat angles C4'-P-C4' energy: -90.123
flat angles P-C4'-P energy: -44.353
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -416.023896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.023896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.023896 (E_RNA)
where:
Base-Base interactions energy: -146.791
where: short stacking energy: -135.168
Base-Backbone interact. energy: -1.583
local terms energy: -269.351059
where:
bonds (distance) C4'-P energy: -96.317
bonds (distance) P-C4' energy: -87.304
flat angles C4'-P-C4' energy: -62.439
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: 2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.701 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -408.518274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.518274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.518274 (E_RNA)
where:
Base-Base interactions energy: -117.003
where: short stacking energy: -112.957
Base-Backbone interact. energy: -0.774
local terms energy: -290.741431
where:
bonds (distance) C4'-P energy: -87.869
bonds (distance) P-C4' energy: -83.124
flat angles C4'-P-C4' energy: -72.142
flat angles P-C4'-P energy: -54.419
tors. eta vs tors. theta energy: 6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -897.127524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.127524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.127524 (E_RNA)
where:
Base-Base interactions energy: -416.852
where: short stacking energy: -372.784
Base-Backbone interact. energy: -0.305
local terms energy: -479.970642
where:
bonds (distance) C4'-P energy: -109.932
bonds (distance) P-C4' energy: -101.393
flat angles C4'-P-C4' energy: -110.784
flat angles P-C4'-P energy: -73.984
tors. eta vs tors. theta energy: -83.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -811.647198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.647198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.647198 (E_RNA)
where:
Base-Base interactions energy: -356.290
where: short stacking energy: -346.025
Base-Backbone interact. energy: -0.474
local terms energy: -454.882493
where:
bonds (distance) C4'-P energy: -93.237
bonds (distance) P-C4' energy: -107.879
flat angles C4'-P-C4' energy: -113.382
flat angles P-C4'-P energy: -67.225
tors. eta vs tors. theta energy: -73.160
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: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -784.300418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.300418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.300418 (E_RNA)
where:
Base-Base interactions energy: -355.818
where: short stacking energy: -302.973
Base-Backbone interact. energy: -0.967
local terms energy: -427.514669
where:
bonds (distance) C4'-P energy: -92.339
bonds (distance) P-C4' energy: -100.935
flat angles C4'-P-C4' energy: -108.372
flat angles P-C4'-P energy: -64.615
tors. eta vs tors. theta energy: -61.254
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: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -664.876361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.876361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.876361 (E_RNA)
where:
Base-Base interactions energy: -260.912
where: short stacking energy: -258.097
Base-Backbone interact. energy: -0.609
local terms energy: -403.355388
where:
bonds (distance) C4'-P energy: -86.648
bonds (distance) P-C4' energy: -98.660
flat angles C4'-P-C4' energy: -94.227
flat angles P-C4'-P energy: -66.567
tors. eta vs tors. theta energy: -57.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -676.736663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.736663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.736663 (E_RNA)
where:
Base-Base interactions energy: -303.710
where: short stacking energy: -236.946
Base-Backbone interact. energy: 2.272
local terms energy: -375.298367
where:
bonds (distance) C4'-P energy: -100.433
bonds (distance) P-C4' energy: -97.361
flat angles C4'-P-C4' energy: -79.412
flat angles P-C4'-P energy: -56.248
tors. eta vs tors. theta energy: -41.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -560.351087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.351087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.351087 (E_RNA)
where:
Base-Base interactions energy: -238.127
where: short stacking energy: -198.274
Base-Backbone interact. energy: -0.179
local terms energy: -322.044615
where:
bonds (distance) C4'-P energy: -72.867
bonds (distance) P-C4' energy: -99.221
flat angles C4'-P-C4' energy: -81.321
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -530.276888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.276888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.276888 (E_RNA)
where:
Base-Base interactions energy: -217.127
where: short stacking energy: -160.221
Base-Backbone interact. energy: 2.599
local terms energy: -315.748831
where:
bonds (distance) C4'-P energy: -96.982
bonds (distance) P-C4' energy: -84.063
flat angles C4'-P-C4' energy: -90.212
flat angles P-C4'-P energy: -37.774
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -460.621921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.621921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.621921 (E_RNA)
where:
Base-Base interactions energy: -146.162
where: short stacking energy: -142.283
Base-Backbone interact. energy: -1.368
local terms energy: -313.091901
where:
bonds (distance) C4'-P energy: -78.625
bonds (distance) P-C4' energy: -90.518
flat angles C4'-P-C4' energy: -74.298
flat angles P-C4'-P energy: -51.829
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -440.374556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.374556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.374556 (E_RNA)
where:
Base-Base interactions energy: -141.924
where: short stacking energy: -120.741
Base-Backbone interact. energy: -0.835
local terms energy: -297.615534
where:
bonds (distance) C4'-P energy: -84.824
bonds (distance) P-C4' energy: -106.287
flat angles C4'-P-C4' energy: -69.669
flat angles P-C4'-P energy: -37.660
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -397.999707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.999707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.999707 (E_RNA)
where:
Base-Base interactions energy: -111.939
where: short stacking energy: -105.423
Base-Backbone interact. energy: 5.118
local terms energy: -291.178733
where:
bonds (distance) C4'-P energy: -88.325
bonds (distance) P-C4' energy: -91.891
flat angles C4'-P-C4' energy: -69.829
flat angles P-C4'-P energy: -52.770
tors. eta vs tors. theta energy: 11.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -870.658588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.658588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.658588 (E_RNA)
where:
Base-Base interactions energy: -391.538
where: short stacking energy: -351.660
Base-Backbone interact. energy: 0.942
local terms energy: -480.062528
where:
bonds (distance) C4'-P energy: -96.371
bonds (distance) P-C4' energy: -105.834
flat angles C4'-P-C4' energy: -114.958
flat angles P-C4'-P energy: -79.729
tors. eta vs tors. theta energy: -83.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -786.329765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.329765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.329765 (E_RNA)
where:
Base-Base interactions energy: -327.807
where: short stacking energy: -317.190
Base-Backbone interact. energy: -1.717
local terms energy: -456.806134
where:
bonds (distance) C4'-P energy: -100.776
bonds (distance) P-C4' energy: -99.474
flat angles C4'-P-C4' energy: -109.557
flat angles P-C4'-P energy: -71.105
tors. eta vs tors. theta energy: -75.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -794.967095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.967095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.967095 (E_RNA)
where:
Base-Base interactions energy: -362.845
where: short stacking energy: -290.138
Base-Backbone interact. energy: 0.530
local terms energy: -432.652175
where:
bonds (distance) C4'-P energy: -103.733
bonds (distance) P-C4' energy: -93.720
flat angles C4'-P-C4' energy: -107.941
flat angles P-C4'-P energy: -67.762
tors. eta vs tors. theta energy: -59.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -756.643984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.643984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.643984 (E_RNA)
where:
Base-Base interactions energy: -371.989
where: short stacking energy: -292.449
Base-Backbone interact. energy: -0.281
local terms energy: -384.374177
where:
bonds (distance) C4'-P energy: -92.905
bonds (distance) P-C4' energy: -95.469
flat angles C4'-P-C4' energy: -92.656
flat angles P-C4'-P energy: -58.363
tors. eta vs tors. theta energy: -44.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -602.761292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.761292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.761292 (E_RNA)
where:
Base-Base interactions energy: -229.948
where: short stacking energy: -208.225
Base-Backbone interact. energy: -0.325
local terms energy: -372.488691
where:
bonds (distance) C4'-P energy: -94.064
bonds (distance) P-C4' energy: -97.549
flat angles C4'-P-C4' energy: -87.021
flat angles P-C4'-P energy: -60.745
tors. eta vs tors. theta energy: -33.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -645.672386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.672386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.672386 (E_RNA)
where:
Base-Base interactions energy: -287.644
where: short stacking energy: -192.154
Base-Backbone interact. energy: 0.310
local terms energy: -358.338366
where:
bonds (distance) C4'-P energy: -90.633
bonds (distance) P-C4' energy: -107.802
flat angles C4'-P-C4' energy: -70.198
flat angles P-C4'-P energy: -57.504
tors. eta vs tors. theta energy: -32.201
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: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -521.394320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.394320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.394320 (E_RNA)
where:
Base-Base interactions energy: -199.307
where: short stacking energy: -184.953
Base-Backbone interact. energy: -0.853
local terms energy: -321.234707
where:
bonds (distance) C4'-P energy: -88.210
bonds (distance) P-C4' energy: -79.063
flat angles C4'-P-C4' energy: -83.927
flat angles P-C4'-P energy: -52.151
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -447.084605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.084605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.084605 (E_RNA)
where:
Base-Base interactions energy: -133.725
where: short stacking energy: -136.497
Base-Backbone interact. energy: 3.642
local terms energy: -317.002117
where:
bonds (distance) C4'-P energy: -82.530
bonds (distance) P-C4' energy: -99.051
flat angles C4'-P-C4' energy: -78.178
flat angles P-C4'-P energy: -56.095
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -453.712531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.712531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.712531 (E_RNA)
where:
Base-Base interactions energy: -146.390
where: short stacking energy: -136.813
Base-Backbone interact. energy: 0.376
local terms energy: -307.699184
where:
bonds (distance) C4'-P energy: -84.526
bonds (distance) P-C4' energy: -83.269
flat angles C4'-P-C4' energy: -86.101
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -397.171522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.171522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.171522 (E_RNA)
where:
Base-Base interactions energy: -125.288
where: short stacking energy: -118.606
Base-Backbone interact. energy: -1.256
local terms energy: -270.627265
where:
bonds (distance) C4'-P energy: -99.359
bonds (distance) P-C4' energy: -89.281
flat angles C4'-P-C4' energy: -66.427
flat angles P-C4'-P energy: -36.625
tors. eta vs tors. theta energy: 21.064
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: 6
Temperature: 0.900000
Total energy: -863.640840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.640840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.640840 (E_RNA)
where:
Base-Base interactions energy: -394.073
where: short stacking energy: -348.750
Base-Backbone interact. energy: -0.590
local terms energy: -468.978065
where:
bonds (distance) C4'-P energy: -105.026
bonds (distance) P-C4' energy: -105.893
flat angles C4'-P-C4' energy: -102.052
flat angles P-C4'-P energy: -73.372
tors. eta vs tors. theta energy: -82.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -794.559820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.559820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.559820 (E_RNA)
where:
Base-Base interactions energy: -332.829
where: short stacking energy: -321.638
Base-Backbone interact. energy: -1.034
local terms energy: -460.697389
where:
bonds (distance) C4'-P energy: -101.179
bonds (distance) P-C4' energy: -103.639
flat angles C4'-P-C4' energy: -116.272
flat angles P-C4'-P energy: -71.779
tors. eta vs tors. theta energy: -67.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -797.284004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.284004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.284004 (E_RNA)
where:
Base-Base interactions energy: -379.019
where: short stacking energy: -320.843
Base-Backbone interact. energy: 0.050
local terms energy: -418.314756
where:
bonds (distance) C4'-P energy: -95.635
bonds (distance) P-C4' energy: -100.334
flat angles C4'-P-C4' energy: -87.376
flat angles P-C4'-P energy: -59.786
tors. eta vs tors. theta energy: -75.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -734.435352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.435352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.435352 (E_RNA)
where:
Base-Base interactions energy: -317.882
where: short stacking energy: -258.774
Base-Backbone interact. energy: -0.345
local terms energy: -416.208300
where:
bonds (distance) C4'-P energy: -83.120
bonds (distance) P-C4' energy: -105.565
flat angles C4'-P-C4' energy: -112.500
flat angles P-C4'-P energy: -61.181
tors. eta vs tors. theta energy: -53.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -737.721269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.721269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.721269 (E_RNA)
where:
Base-Base interactions energy: -357.692
where: short stacking energy: -257.104
Base-Backbone interact. energy: 0.242
local terms energy: -380.271029
where:
bonds (distance) C4'-P energy: -89.148
bonds (distance) P-C4' energy: -91.151
flat angles C4'-P-C4' energy: -103.566
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -48.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -555.550752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.550752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.550752 (E_RNA)
where:
Base-Base interactions energy: -207.706
where: short stacking energy: -186.578
Base-Backbone interact. energy: -1.676
local terms energy: -346.168174
where:
bonds (distance) C4'-P energy: -89.132
bonds (distance) P-C4' energy: -89.380
flat angles C4'-P-C4' energy: -84.881
flat angles P-C4'-P energy: -59.727
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -494.614881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.614881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.614881 (E_RNA)
where:
Base-Base interactions energy: -159.537
where: short stacking energy: -154.589
Base-Backbone interact. energy: -2.615
local terms energy: -332.462987
where:
bonds (distance) C4'-P energy: -100.773
bonds (distance) P-C4' energy: -99.545
flat angles C4'-P-C4' energy: -81.206
flat angles P-C4'-P energy: -58.471
tors. eta vs tors. theta energy: 7.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -451.160967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.160967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.160967 (E_RNA)
where:
Base-Base interactions energy: -140.050
where: short stacking energy: -116.329
Base-Backbone interact. energy: -0.415
local terms energy: -310.695511
where:
bonds (distance) C4'-P energy: -85.494
bonds (distance) P-C4' energy: -99.297
flat angles C4'-P-C4' energy: -74.777
flat angles P-C4'-P energy: -60.187
tors. eta vs tors. theta energy: 9.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -480.924352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.924352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.924352 (E_RNA)
where:
Base-Base interactions energy: -197.423
where: short stacking energy: -161.385
Base-Backbone interact. energy: 3.164
local terms energy: -286.664876
where:
bonds (distance) C4'-P energy: -79.868
bonds (distance) P-C4' energy: -76.911
flat angles C4'-P-C4' energy: -69.096
flat angles P-C4'-P energy: -49.628
tors. eta vs tors. theta energy: -11.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -391.323055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.323055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.323055 (E_RNA)
where:
Base-Base interactions energy: -154.497
where: short stacking energy: -126.115
Base-Backbone interact. energy: 4.402
local terms energy: -241.228447
where:
bonds (distance) C4'-P energy: -48.573
bonds (distance) P-C4' energy: -89.076
flat angles C4'-P-C4' energy: -74.658
flat angles P-C4'-P energy: -41.664
tors. eta vs tors. theta energy: 12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -934.074005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.074005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.074005 (E_RNA)
where:
Base-Base interactions energy: -445.412
where: short stacking energy: -369.613
Base-Backbone interact. energy: -0.500
local terms energy: -488.161737
where:
bonds (distance) C4'-P energy: -100.469
bonds (distance) P-C4' energy: -102.390
flat angles C4'-P-C4' energy: -116.946
flat angles P-C4'-P energy: -76.524
tors. eta vs tors. theta energy: -91.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -850.462306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.462306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.462306 (E_RNA)
where:
Base-Base interactions energy: -394.505
where: short stacking energy: -330.664
Base-Backbone interact. energy: -0.006
local terms energy: -455.950963
where:
bonds (distance) C4'-P energy: -107.428
bonds (distance) P-C4' energy: -116.855
flat angles C4'-P-C4' energy: -86.758
flat angles P-C4'-P energy: -66.807
tors. eta vs tors. theta energy: -78.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -709.278418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.278418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.278418 (E_RNA)
where:
Base-Base interactions energy: -281.583
where: short stacking energy: -279.475
Base-Backbone interact. energy: 3.906
local terms energy: -431.601420
where:
bonds (distance) C4'-P energy: -104.890
bonds (distance) P-C4' energy: -99.890
flat angles C4'-P-C4' energy: -104.260
flat angles P-C4'-P energy: -69.721
tors. eta vs tors. theta energy: -52.840
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: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -858.187741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.187741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.187741 (E_RNA)
where:
Base-Base interactions energy: -430.973
where: short stacking energy: -294.406
Base-Backbone interact. energy: 4.377
local terms energy: -431.591721
where:
bonds (distance) C4'-P energy: -93.413
bonds (distance) P-C4' energy: -109.795
flat angles C4'-P-C4' energy: -106.524
flat angles P-C4'-P energy: -66.696
tors. eta vs tors. theta energy: -55.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -669.978302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.978302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.978302 (E_RNA)
where:
Base-Base interactions energy: -256.680
where: short stacking energy: -217.475
Base-Backbone interact. energy: -1.326
local terms energy: -411.972186
where:
bonds (distance) C4'-P energy: -106.555
bonds (distance) P-C4' energy: -102.194
flat angles C4'-P-C4' energy: -88.472
flat angles P-C4'-P energy: -69.541
tors. eta vs tors. theta energy: -45.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -578.281569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.281569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.281569 (E_RNA)
where:
Base-Base interactions energy: -247.113
where: short stacking energy: -188.360
Base-Backbone interact. energy: -2.294
local terms energy: -328.874680
where:
bonds (distance) C4'-P energy: -70.814
bonds (distance) P-C4' energy: -87.981
flat angles C4'-P-C4' energy: -87.877
flat angles P-C4'-P energy: -58.134
tors. eta vs tors. theta energy: -24.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -500.094323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.094323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.094323 (E_RNA)
where:
Base-Base interactions energy: -165.635
where: short stacking energy: -165.069
Base-Backbone interact. energy: 4.592
local terms energy: -339.050948
where:
bonds (distance) C4'-P energy: -74.785
bonds (distance) P-C4' energy: -101.733
flat angles C4'-P-C4' energy: -77.735
flat angles P-C4'-P energy: -57.431
tors. eta vs tors. theta energy: -27.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -473.856077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.856077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.856077 (E_RNA)
where:
Base-Base interactions energy: -182.852
where: short stacking energy: -149.615
Base-Backbone interact. energy: -0.497
local terms energy: -290.507266
where:
bonds (distance) C4'-P energy: -92.154
bonds (distance) P-C4' energy: -90.390
flat angles C4'-P-C4' energy: -78.639
flat angles P-C4'-P energy: -42.936
tors. eta vs tors. theta energy: 13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -524.292567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.292567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.292567 (E_RNA)
where:
Base-Base interactions energy: -221.644
where: short stacking energy: -155.017
Base-Backbone interact. energy: -2.711
local terms energy: -299.937117
where:
bonds (distance) C4'-P energy: -73.168
bonds (distance) P-C4' energy: -99.820
flat angles C4'-P-C4' energy: -70.683
flat angles P-C4'-P energy: -45.491
tors. eta vs tors. theta energy: -10.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -475.540645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.540645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.540645 (E_RNA)
where:
Base-Base interactions energy: -179.929
where: short stacking energy: -149.903
Base-Backbone interact. energy: -0.210
local terms energy: -295.401412
where:
bonds (distance) C4'-P energy: -98.600
bonds (distance) P-C4' energy: -87.239
flat angles C4'-P-C4' energy: -70.909
flat angles P-C4'-P energy: -34.138
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: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -938.418423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.418423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.418423 (E_RNA)
where:
Base-Base interactions energy: -449.238
where: short stacking energy: -366.140
Base-Backbone interact. energy: -0.561
local terms energy: -488.619541
where:
bonds (distance) C4'-P energy: -106.661
bonds (distance) P-C4' energy: -113.545
flat angles C4'-P-C4' energy: -113.042
flat angles P-C4'-P energy: -61.097
tors. eta vs tors. theta energy: -94.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -902.750610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.750610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.750610 (E_RNA)
where:
Base-Base interactions energy: -424.998
where: short stacking energy: -327.022
Base-Backbone interact. energy: 0.210
local terms energy: -477.963000
where:
bonds (distance) C4'-P energy: -103.926
bonds (distance) P-C4' energy: -106.697
flat angles C4'-P-C4' energy: -111.571
flat angles P-C4'-P energy: -67.463
tors. eta vs tors. theta energy: -88.305
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: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1018.803589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.803589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.803589 (E_RNA)
where:
Base-Base interactions energy: -582.320
where: short stacking energy: -313.363
Base-Backbone interact. energy: -1.664
local terms energy: -434.819675
where:
bonds (distance) C4'-P energy: -90.514
bonds (distance) P-C4' energy: -103.613
flat angles C4'-P-C4' energy: -96.037
flat angles P-C4'-P energy: -61.988
tors. eta vs tors. theta energy: -82.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -648.954495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.954495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.954495 (E_RNA)
where:
Base-Base interactions energy: -269.897
where: short stacking energy: -267.844
Base-Backbone interact. energy: 0.889
local terms energy: -379.945956
where:
bonds (distance) C4'-P energy: -95.389
bonds (distance) P-C4' energy: -96.428
flat angles C4'-P-C4' energy: -89.536
flat angles P-C4'-P energy: -52.579
tors. eta vs tors. theta energy: -46.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -700.582872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.582872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.582872 (E_RNA)
where:
Base-Base interactions energy: -336.538
where: short stacking energy: -230.254
Base-Backbone interact. energy: 1.773
local terms energy: -365.817466
where:
bonds (distance) C4'-P energy: -95.783
bonds (distance) P-C4' energy: -98.653
flat angles C4'-P-C4' energy: -83.929
flat angles P-C4'-P energy: -49.547
tors. eta vs tors. theta energy: -37.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -585.323920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.323920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.323920 (E_RNA)
where:
Base-Base interactions energy: -252.074
where: short stacking energy: -204.249
Base-Backbone interact. energy: -1.569
local terms energy: -331.681314
where:
bonds (distance) C4'-P energy: -82.288
bonds (distance) P-C4' energy: -91.498
flat angles C4'-P-C4' energy: -85.599
flat angles P-C4'-P energy: -49.899
tors. eta vs tors. theta energy: -22.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -497.294658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.294658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.294658 (E_RNA)
where:
Base-Base interactions energy: -195.692
where: short stacking energy: -153.245
Base-Backbone interact. energy: 1.115
local terms energy: -302.716936
where:
bonds (distance) C4'-P energy: -83.563
bonds (distance) P-C4' energy: -101.986
flat angles C4'-P-C4' energy: -85.851
flat angles P-C4'-P energy: -39.170
tors. eta vs tors. theta energy: 7.854
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: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -453.627677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.627677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.627677 (E_RNA)
where:
Base-Base interactions energy: -153.578
where: short stacking energy: -115.130
Base-Backbone interact. energy: 1.611
local terms energy: -301.661118
where:
bonds (distance) C4'-P energy: -89.636
bonds (distance) P-C4' energy: -95.306
flat angles C4'-P-C4' energy: -81.553
flat angles P-C4'-P energy: -43.074
tors. eta vs tors. theta energy: 7.908
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: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -490.949063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.949063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.949063 (E_RNA)
where:
Base-Base interactions energy: -211.679
where: short stacking energy: -142.834
Base-Backbone interact. energy: -1.047
local terms energy: -278.222561
where:
bonds (distance) C4'-P energy: -89.080
bonds (distance) P-C4' energy: -93.236
flat angles C4'-P-C4' energy: -60.020
flat angles P-C4'-P energy: -37.276
tors. eta vs tors. theta energy: 1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -402.788137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.788137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.788137 (E_RNA)
where:
Base-Base interactions energy: -146.356
where: short stacking energy: -133.145
Base-Backbone interact. energy: 1.940
local terms energy: -258.372687
where:
bonds (distance) C4'-P energy: -85.425
bonds (distance) P-C4' energy: -91.558
flat angles C4'-P-C4' energy: -48.096
flat angles P-C4'-P energy: -31.841
tors. eta vs tors. theta energy: -1.453
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: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -987.728791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.728791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.728791 (E_RNA)
where:
Base-Base interactions energy: -496.030
where: short stacking energy: -405.081
Base-Backbone interact. energy: -0.379
local terms energy: -491.319661
where:
bonds (distance) C4'-P energy: -96.659
bonds (distance) P-C4' energy: -105.356
flat angles C4'-P-C4' energy: -115.999
flat angles P-C4'-P energy: -67.851
tors. eta vs tors. theta energy: -105.454
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: 7
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1245.125819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.125819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.125819 (E_RNA)
where:
Base-Base interactions energy: -769.525
where: short stacking energy: -407.260
Base-Backbone interact. energy: -2.455
local terms energy: -473.145614
where:
bonds (distance) C4'-P energy: -104.692
bonds (distance) P-C4' energy: -96.646
flat angles C4'-P-C4' energy: -105.425
flat angles P-C4'-P energy: -67.883
tors. eta vs tors. theta energy: -98.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -848.172163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.172163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.172163 (E_RNA)
where:
Base-Base interactions energy: -407.750
where: short stacking energy: -328.745
Base-Backbone interact. energy: -1.195
local terms energy: -439.227187
where:
bonds (distance) C4'-P energy: -85.529
bonds (distance) P-C4' energy: -111.444
flat angles C4'-P-C4' energy: -105.009
flat angles P-C4'-P energy: -64.577
tors. eta vs tors. theta energy: -72.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -807.777294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.777294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.777294 (E_RNA)
where:
Base-Base interactions energy: -388.028
where: short stacking energy: -252.117
Base-Backbone interact. energy: 1.181
local terms energy: -420.930732
where:
bonds (distance) C4'-P energy: -119.636
bonds (distance) P-C4' energy: -101.810
flat angles C4'-P-C4' energy: -95.608
flat angles P-C4'-P energy: -51.095
tors. eta vs tors. theta energy: -52.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -627.386569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.386569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.386569 (E_RNA)
where:
Base-Base interactions energy: -257.459
where: short stacking energy: -215.416
Base-Backbone interact. energy: -2.611
local terms energy: -367.315743
where:
bonds (distance) C4'-P energy: -96.445
bonds (distance) P-C4' energy: -99.623
flat angles C4'-P-C4' energy: -85.248
flat angles P-C4'-P energy: -49.034
tors. eta vs tors. theta energy: -36.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -572.247313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.247313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.247313 (E_RNA)
where:
Base-Base interactions energy: -228.221
where: short stacking energy: -187.701
Base-Backbone interact. energy: 0.455
local terms energy: -344.481086
where:
bonds (distance) C4'-P energy: -93.862
bonds (distance) P-C4' energy: -92.416
flat angles C4'-P-C4' energy: -100.978
flat angles P-C4'-P energy: -46.869
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -630.037326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.037326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.037326 (E_RNA)
where:
Base-Base interactions energy: -292.354
where: short stacking energy: -196.522
Base-Backbone interact. energy: -0.552
local terms energy: -337.132266
where:
bonds (distance) C4'-P energy: -74.606
bonds (distance) P-C4' energy: -92.190
flat angles C4'-P-C4' energy: -82.320
flat angles P-C4'-P energy: -60.483
tors. eta vs tors. theta energy: -27.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -588.456865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.456865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.456865 (E_RNA)
where:
Base-Base interactions energy: -281.145
where: short stacking energy: -206.846
Base-Backbone interact. energy: -1.527
local terms energy: -305.785287
where:
bonds (distance) C4'-P energy: -82.983
bonds (distance) P-C4' energy: -89.340
flat angles C4'-P-C4' energy: -68.028
flat angles P-C4'-P energy: -51.360
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -450.610511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.610511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.610511 (E_RNA)
where:
Base-Base interactions energy: -155.557
where: short stacking energy: -125.256
Base-Backbone interact. energy: -0.728
local terms energy: -294.325048
where:
bonds (distance) C4'-P energy: -90.211
bonds (distance) P-C4' energy: -88.456
flat angles C4'-P-C4' energy: -73.043
flat angles P-C4'-P energy: -48.590
tors. eta vs tors. theta energy: 5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -394.073961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.073961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.073961 (E_RNA)
where:
Base-Base interactions energy: -139.385
where: short stacking energy: -110.467
Base-Backbone interact. energy: 3.440
local terms energy: -258.527652
where:
bonds (distance) C4'-P energy: -77.654
bonds (distance) P-C4' energy: -76.084
flat angles C4'-P-C4' energy: -83.913
flat angles P-C4'-P energy: -42.348
tors. eta vs tors. theta energy: 21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.399 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1253.030221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.030221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.030221 (E_RNA)
where:
Base-Base interactions energy: -754.935
where: short stacking energy: -420.686
Base-Backbone interact. energy: -0.774
local terms energy: -497.321380
where:
bonds (distance) C4'-P energy: -104.608
bonds (distance) P-C4' energy: -99.708
flat angles C4'-P-C4' energy: -108.504
flat angles P-C4'-P energy: -68.037
tors. eta vs tors. theta energy: -116.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -925.093389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.093389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.093389 (E_RNA)
where:
Base-Base interactions energy: -457.240
where: short stacking energy: -374.907
Base-Backbone interact. energy: -1.185
local terms energy: -466.668535
where:
bonds (distance) C4'-P energy: -87.544
bonds (distance) P-C4' energy: -101.407
flat angles C4'-P-C4' energy: -112.335
flat angles P-C4'-P energy: -69.437
tors. eta vs tors. theta energy: -95.945
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: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -890.953450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.953450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.953450 (E_RNA)
where:
Base-Base interactions energy: -473.045
where: short stacking energy: -317.138
Base-Backbone interact. energy: -0.513
local terms energy: -417.395525
where:
bonds (distance) C4'-P energy: -104.784
bonds (distance) P-C4' energy: -91.977
flat angles C4'-P-C4' energy: -101.214
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: -69.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -783.532058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.532058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.532058 (E_RNA)
where:
Base-Base interactions energy: -388.295
where: short stacking energy: -289.798
Base-Backbone interact. energy: 0.815
local terms energy: -396.052371
where:
bonds (distance) C4'-P energy: -94.591
bonds (distance) P-C4' energy: -91.929
flat angles C4'-P-C4' energy: -85.195
flat angles P-C4'-P energy: -64.573
tors. eta vs tors. theta energy: -59.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -626.103430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.103430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.103430 (E_RNA)
where:
Base-Base interactions energy: -260.982
where: short stacking energy: -222.031
Base-Backbone interact. energy: 0.595
local terms energy: -365.716826
where:
bonds (distance) C4'-P energy: -89.203
bonds (distance) P-C4' energy: -100.354
flat angles C4'-P-C4' energy: -93.039
flat angles P-C4'-P energy: -45.856
tors. eta vs tors. theta energy: -37.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -534.508666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.508666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.508666 (E_RNA)
where:
Base-Base interactions energy: -212.412
where: short stacking energy: -177.298
Base-Backbone interact. energy: 0.960
local terms energy: -323.057056
where:
bonds (distance) C4'-P energy: -94.795
bonds (distance) P-C4' energy: -83.641
flat angles C4'-P-C4' energy: -82.844
flat angles P-C4'-P energy: -45.278
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -676.730418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.730418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.730418 (E_RNA)
where:
Base-Base interactions energy: -334.823
where: short stacking energy: -208.043
Base-Backbone interact. energy: -1.797
local terms energy: -340.110828
where:
bonds (distance) C4'-P energy: -86.502
bonds (distance) P-C4' energy: -104.918
flat angles C4'-P-C4' energy: -83.635
flat angles P-C4'-P energy: -48.077
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -570.918904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.918904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.918904 (E_RNA)
where:
Base-Base interactions energy: -280.574
where: short stacking energy: -183.975
Base-Backbone interact. energy: 0.182
local terms energy: -290.526762
where:
bonds (distance) C4'-P energy: -67.614
bonds (distance) P-C4' energy: -97.689
flat angles C4'-P-C4' energy: -70.943
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -423.505675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.505675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.505675 (E_RNA)
where:
Base-Base interactions energy: -133.077
where: short stacking energy: -126.949
Base-Backbone interact. energy: 3.561
local terms energy: -293.989470
where:
bonds (distance) C4'-P energy: -79.926
bonds (distance) P-C4' energy: -97.492
flat angles C4'-P-C4' energy: -71.191
flat angles P-C4'-P energy: -50.169
tors. eta vs tors. theta energy: 4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -379.420403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.420403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.420403 (E_RNA)
where:
Base-Base interactions energy: -121.230
where: short stacking energy: -106.414
Base-Backbone interact. energy: 1.031
local terms energy: -259.221473
where:
bonds (distance) C4'-P energy: -88.103
bonds (distance) P-C4' energy: -83.284
flat angles C4'-P-C4' energy: -63.447
flat angles P-C4'-P energy: -39.126
tors. eta vs tors. theta energy: 14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1279.711316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.711316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.711316 (E_RNA)
where:
Base-Base interactions energy: -785.980
where: short stacking energy: -415.648
Base-Backbone interact. energy: -0.716
local terms energy: -493.015178
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -110.660
flat angles C4'-P-C4' energy: -107.088
flat angles P-C4'-P energy: -75.018
tors. eta vs tors. theta energy: -107.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1039.041875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.041875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.041875 (E_RNA)
where:
Base-Base interactions energy: -591.422
where: short stacking energy: -358.782
Base-Backbone interact. energy: -0.000
local terms energy: -447.619337
where:
bonds (distance) C4'-P energy: -86.516
bonds (distance) P-C4' energy: -111.089
flat angles C4'-P-C4' energy: -94.245
flat angles P-C4'-P energy: -59.169
tors. eta vs tors. theta energy: -96.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -836.633918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.633918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.633918 (E_RNA)
where:
Base-Base interactions energy: -410.863
where: short stacking energy: -318.596
Base-Backbone interact. energy: -0.015
local terms energy: -425.755890
where:
bonds (distance) C4'-P energy: -84.744
bonds (distance) P-C4' energy: -106.807
flat angles C4'-P-C4' energy: -94.012
flat angles P-C4'-P energy: -67.107
tors. eta vs tors. theta energy: -73.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -794.341603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.341603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.341603 (E_RNA)
where:
Base-Base interactions energy: -381.125
where: short stacking energy: -272.941
Base-Backbone interact. energy: 1.988
local terms energy: -415.204909
where:
bonds (distance) C4'-P energy: -99.727
bonds (distance) P-C4' energy: -101.372
flat angles C4'-P-C4' energy: -94.442
flat angles P-C4'-P energy: -62.047
tors. eta vs tors. theta energy: -57.617
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: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -710.863385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.863385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.863385 (E_RNA)
where:
Base-Base interactions energy: -316.021
where: short stacking energy: -240.417
Base-Backbone interact. energy: -2.023
local terms energy: -392.819059
where:
bonds (distance) C4'-P energy: -95.056
bonds (distance) P-C4' energy: -102.781
flat angles C4'-P-C4' energy: -97.569
flat angles P-C4'-P energy: -53.332
tors. eta vs tors. theta energy: -44.082
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: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -737.561544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.561544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.561544 (E_RNA)
where:
Base-Base interactions energy: -388.582
where: short stacking energy: -229.177
Base-Backbone interact. energy: -0.947
local terms energy: -348.031927
where:
bonds (distance) C4'-P energy: -84.644
bonds (distance) P-C4' energy: -95.802
flat angles C4'-P-C4' energy: -79.806
flat angles P-C4'-P energy: -50.330
tors. eta vs tors. theta energy: -37.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -503.959914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.959914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.959914 (E_RNA)
where:
Base-Base interactions energy: -192.486
where: short stacking energy: -162.198
Base-Backbone interact. energy: -1.166
local terms energy: -310.308072
where:
bonds (distance) C4'-P energy: -93.398
bonds (distance) P-C4' energy: -88.504
flat angles C4'-P-C4' energy: -85.979
flat angles P-C4'-P energy: -53.424
tors. eta vs tors. theta energy: 10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -588.657068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.657068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.657068 (E_RNA)
where:
Base-Base interactions energy: -262.247
where: short stacking energy: -181.668
Base-Backbone interact. energy: 0.318
local terms energy: -326.727526
where:
bonds (distance) C4'-P energy: -75.993
bonds (distance) P-C4' energy: -68.471
flat angles C4'-P-C4' energy: -99.371
flat angles P-C4'-P energy: -66.707
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -427.596934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.596934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.596934 (E_RNA)
where:
Base-Base interactions energy: -155.587
where: short stacking energy: -143.226
Base-Backbone interact. energy: -2.478
local terms energy: -269.531168
where:
bonds (distance) C4'-P energy: -84.490
bonds (distance) P-C4' energy: -93.474
flat angles C4'-P-C4' energy: -58.907
flat angles P-C4'-P energy: -41.165
tors. eta vs tors. theta energy: 8.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -390.686719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.686719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.686719 (E_RNA)
where:
Base-Base interactions energy: -118.480
where: short stacking energy: -105.204
Base-Backbone interact. energy: 0.431
local terms energy: -272.637073
where:
bonds (distance) C4'-P energy: -73.795
bonds (distance) P-C4' energy: -98.474
flat angles C4'-P-C4' energy: -68.050
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: 11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1316.011138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.011138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.011138 (E_RNA)
where:
Base-Base interactions energy: -818.017
where: short stacking energy: -414.257
Base-Backbone interact. energy: -2.512
local terms energy: -495.482222
where:
bonds (distance) C4'-P energy: -107.004
bonds (distance) P-C4' energy: -101.627
flat angles C4'-P-C4' energy: -112.802
flat angles P-C4'-P energy: -65.652
tors. eta vs tors. theta energy: -108.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1020.494694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.494694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.494694 (E_RNA)
where:
Base-Base interactions energy: -594.512
where: short stacking energy: -356.368
Base-Backbone interact. energy: -0.947
local terms energy: -425.036095
where:
bonds (distance) C4'-P energy: -96.082
bonds (distance) P-C4' energy: -103.241
flat angles C4'-P-C4' energy: -89.222
flat angles P-C4'-P energy: -61.648
tors. eta vs tors. theta energy: -74.843
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: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -856.798108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.798108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.798108 (E_RNA)
where:
Base-Base interactions energy: -412.288
where: short stacking energy: -281.942
Base-Backbone interact. energy: -2.890
local terms energy: -441.620020
where:
bonds (distance) C4'-P energy: -95.015
bonds (distance) P-C4' energy: -115.222
flat angles C4'-P-C4' energy: -100.379
flat angles P-C4'-P energy: -66.756
tors. eta vs tors. theta energy: -64.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -766.804736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.804736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.804736 (E_RNA)
where:
Base-Base interactions energy: -377.345
where: short stacking energy: -286.153
Base-Backbone interact. energy: 1.416
local terms energy: -390.875630
where:
bonds (distance) C4'-P energy: -95.696
bonds (distance) P-C4' energy: -98.589
flat angles C4'-P-C4' energy: -96.032
flat angles P-C4'-P energy: -51.730
tors. eta vs tors. theta energy: -48.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -750.665027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.665027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.665027 (E_RNA)
where:
Base-Base interactions energy: -351.790
where: short stacking energy: -258.688
Base-Backbone interact. energy: -1.336
local terms energy: -397.538458
where:
bonds (distance) C4'-P energy: -90.605
bonds (distance) P-C4' energy: -100.169
flat angles C4'-P-C4' energy: -94.196
flat angles P-C4'-P energy: -53.207
tors. eta vs tors. theta energy: -59.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -748.531807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.531807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.531807 (E_RNA)
where:
Base-Base interactions energy: -366.017
where: short stacking energy: -238.875
Base-Backbone interact. energy: -1.399
local terms energy: -381.115538
where:
bonds (distance) C4'-P energy: -88.856
bonds (distance) P-C4' energy: -102.814
flat angles C4'-P-C4' energy: -95.766
flat angles P-C4'-P energy: -58.194
tors. eta vs tors. theta energy: -35.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -574.217331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.217331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.217331 (E_RNA)
where:
Base-Base interactions energy: -234.825
where: short stacking energy: -154.538
Base-Backbone interact. energy: -0.243
local terms energy: -339.150126
where:
bonds (distance) C4'-P energy: -84.037
bonds (distance) P-C4' energy: -100.333
flat angles C4'-P-C4' energy: -90.768
flat angles P-C4'-P energy: -55.604
tors. eta vs tors. theta energy: -8.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -473.388081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.388081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.388081 (E_RNA)
where:
Base-Base interactions energy: -163.994
where: short stacking energy: -153.472
Base-Backbone interact. energy: 0.831
local terms energy: -310.224325
where:
bonds (distance) C4'-P energy: -89.298
bonds (distance) P-C4' energy: -93.345
flat angles C4'-P-C4' energy: -90.022
flat angles P-C4'-P energy: -42.478
tors. eta vs tors. theta energy: 4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -435.678500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.678500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.678500 (E_RNA)
where:
Base-Base interactions energy: -151.160
where: short stacking energy: -141.998
Base-Backbone interact. energy: 0.639
local terms energy: -285.157878
where:
bonds (distance) C4'-P energy: -76.670
bonds (distance) P-C4' energy: -87.956
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -48.871
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -379.093431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.093431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.093431 (E_RNA)
where:
Base-Base interactions energy: -143.360
where: short stacking energy: -136.706
Base-Backbone interact. energy: 2.232
local terms energy: -237.965911
where:
bonds (distance) C4'-P energy: -55.851
bonds (distance) P-C4' energy: -75.010
flat angles C4'-P-C4' energy: -67.040
flat angles P-C4'-P energy: -54.019
tors. eta vs tors. theta energy: 13.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1301.673364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.673364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.673364 (E_RNA)
where:
Base-Base interactions energy: -797.308
where: short stacking energy: -372.422
Base-Backbone interact. energy: -3.135
local terms energy: -501.230123
where:
bonds (distance) C4'-P energy: -106.674
bonds (distance) P-C4' energy: -108.438
flat angles C4'-P-C4' energy: -114.250
flat angles P-C4'-P energy: -72.563
tors. eta vs tors. theta energy: -99.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1036.991143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.991143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.991143 (E_RNA)
where:
Base-Base interactions energy: -562.989
where: short stacking energy: -337.665
Base-Backbone interact. energy: -1.254
local terms energy: -472.747980
where:
bonds (distance) C4'-P energy: -105.430
bonds (distance) P-C4' energy: -107.854
flat angles C4'-P-C4' energy: -104.187
flat angles P-C4'-P energy: -63.892
tors. eta vs tors. theta energy: -91.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -869.168687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.168687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.168687 (E_RNA)
where:
Base-Base interactions energy: -456.183
where: short stacking energy: -316.152
Base-Backbone interact. energy: -1.654
local terms energy: -411.331888
where:
bonds (distance) C4'-P energy: -88.619
bonds (distance) P-C4' energy: -103.592
flat angles C4'-P-C4' energy: -105.979
flat angles P-C4'-P energy: -52.917
tors. eta vs tors. theta energy: -60.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -756.644614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.644614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.644614 (E_RNA)
where:
Base-Base interactions energy: -345.772
where: short stacking energy: -241.823
Base-Backbone interact. energy: -0.168
local terms energy: -410.704870
where:
bonds (distance) C4'-P energy: -102.986
bonds (distance) P-C4' energy: -107.465
flat angles C4'-P-C4' energy: -97.105
flat angles P-C4'-P energy: -50.822
tors. eta vs tors. theta energy: -52.327
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: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -732.081464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.081464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.081464 (E_RNA)
where:
Base-Base interactions energy: -335.457
where: short stacking energy: -238.075
Base-Backbone interact. energy: 1.812
local terms energy: -398.436200
where:
bonds (distance) C4'-P energy: -81.988
bonds (distance) P-C4' energy: -104.912
flat angles C4'-P-C4' energy: -95.370
flat angles P-C4'-P energy: -75.484
tors. eta vs tors. theta energy: -40.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -737.002993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.002993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.002993 (E_RNA)
where:
Base-Base interactions energy: -373.358
where: short stacking energy: -235.476
Base-Backbone interact. energy: -2.564
local terms energy: -361.080953
where:
bonds (distance) C4'-P energy: -98.140
bonds (distance) P-C4' energy: -93.120
flat angles C4'-P-C4' energy: -87.086
flat angles P-C4'-P energy: -52.809
tors. eta vs tors. theta energy: -29.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -627.168350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.168350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.168350 (E_RNA)
where:
Base-Base interactions energy: -312.499
where: short stacking energy: -175.061
Base-Backbone interact. energy: 0.881
local terms energy: -315.550567
where:
bonds (distance) C4'-P energy: -88.725
bonds (distance) P-C4' energy: -94.107
flat angles C4'-P-C4' energy: -89.147
flat angles P-C4'-P energy: -36.970
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -500.121705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.121705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.121705 (E_RNA)
where:
Base-Base interactions energy: -212.729
where: short stacking energy: -147.085
Base-Backbone interact. energy: -0.905
local terms energy: -286.487166
where:
bonds (distance) C4'-P energy: -87.476
bonds (distance) P-C4' energy: -100.050
flat angles C4'-P-C4' energy: -62.897
flat angles P-C4'-P energy: -25.181
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -425.894200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.894200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.894200 (E_RNA)
where:
Base-Base interactions energy: -140.348
where: short stacking energy: -114.349
Base-Backbone interact. energy: 6.535
local terms energy: -292.080472
where:
bonds (distance) C4'-P energy: -82.575
bonds (distance) P-C4' energy: -91.576
flat angles C4'-P-C4' energy: -81.092
flat angles P-C4'-P energy: -54.818
tors. eta vs tors. theta energy: 17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -397.026237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.026237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.026237 (E_RNA)
where:
Base-Base interactions energy: -135.597
where: short stacking energy: -124.944
Base-Backbone interact. energy: 1.607
local terms energy: -263.035507
where:
bonds (distance) C4'-P energy: -70.050
bonds (distance) P-C4' energy: -92.207
flat angles C4'-P-C4' energy: -69.896
flat angles P-C4'-P energy: -47.206
tors. eta vs tors. theta energy: 16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1311.626979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.626979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.626979 (E_RNA)
where:
Base-Base interactions energy: -806.098
where: short stacking energy: -409.909
Base-Backbone interact. energy: -2.053
local terms energy: -503.475772
where:
bonds (distance) C4'-P energy: -94.708
bonds (distance) P-C4' energy: -113.889
flat angles C4'-P-C4' energy: -115.864
flat angles P-C4'-P energy: -78.948
tors. eta vs tors. theta energy: -100.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1090.226458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.226458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.226458 (E_RNA)
where:
Base-Base interactions energy: -622.456
where: short stacking energy: -370.626
Base-Backbone interact. energy: -1.498
local terms energy: -466.271803
where:
bonds (distance) C4'-P energy: -95.962
bonds (distance) P-C4' energy: -108.336
flat angles C4'-P-C4' energy: -96.058
flat angles P-C4'-P energy: -73.321
tors. eta vs tors. theta energy: -92.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -912.486643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.486643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.486643 (E_RNA)
where:
Base-Base interactions energy: -485.378
where: short stacking energy: -298.497
Base-Backbone interact. energy: 0.158
local terms energy: -427.266521
where:
bonds (distance) C4'-P energy: -90.629
bonds (distance) P-C4' energy: -101.639
flat angles C4'-P-C4' energy: -96.447
flat angles P-C4'-P energy: -73.924
tors. eta vs tors. theta energy: -64.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -855.901248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.901248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.901248 (E_RNA)
where:
Base-Base interactions energy: -435.637
where: short stacking energy: -275.605
Base-Backbone interact. energy: 0.014
local terms energy: -420.278398
where:
bonds (distance) C4'-P energy: -91.833
bonds (distance) P-C4' energy: -102.525
flat angles C4'-P-C4' energy: -94.836
flat angles P-C4'-P energy: -70.346
tors. eta vs tors. theta energy: -60.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -810.936938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.936938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.936938 (E_RNA)
where:
Base-Base interactions energy: -430.589
where: short stacking energy: -269.986
Base-Backbone interact. energy: -1.188
local terms energy: -379.160107
where:
bonds (distance) C4'-P energy: -83.739
bonds (distance) P-C4' energy: -104.513
flat angles C4'-P-C4' energy: -87.034
flat angles P-C4'-P energy: -56.244
tors. eta vs tors. theta energy: -47.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -673.387426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.387426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.387426 (E_RNA)
where:
Base-Base interactions energy: -319.568
where: short stacking energy: -222.652
Base-Backbone interact. energy: -0.017
local terms energy: -353.936277
where:
bonds (distance) C4'-P energy: -92.970
bonds (distance) P-C4' energy: -100.126
flat angles C4'-P-C4' energy: -92.296
flat angles P-C4'-P energy: -54.218
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.135 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -528.787978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.787978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.787978 (E_RNA)
where:
Base-Base interactions energy: -201.754
where: short stacking energy: -185.578
Base-Backbone interact. energy: 2.471
local terms energy: -329.505504
where:
bonds (distance) C4'-P energy: -92.313
bonds (distance) P-C4' energy: -97.132
flat angles C4'-P-C4' energy: -87.972
flat angles P-C4'-P energy: -37.822
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -575.123590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.123590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.123590 (E_RNA)
where:
Base-Base interactions energy: -271.003
where: short stacking energy: -135.507
Base-Backbone interact. energy: 5.726
local terms energy: -309.845679
where:
bonds (distance) C4'-P energy: -86.255
bonds (distance) P-C4' energy: -93.875
flat angles C4'-P-C4' energy: -87.586
flat angles P-C4'-P energy: -42.346
tors. eta vs tors. theta energy: 0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -419.720338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.720338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.720338 (E_RNA)
where:
Base-Base interactions energy: -152.324
where: short stacking energy: -122.941
Base-Backbone interact. energy: -0.495
local terms energy: -266.901625
where:
bonds (distance) C4'-P energy: -80.377
bonds (distance) P-C4' energy: -91.853
flat angles C4'-P-C4' energy: -68.171
flat angles P-C4'-P energy: -40.554
tors. eta vs tors. theta energy: 14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -388.595123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.595123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.595123 (E_RNA)
where:
Base-Base interactions energy: -114.858
where: short stacking energy: -109.911
Base-Backbone interact. energy: -0.465
local terms energy: -273.271506
where:
bonds (distance) C4'-P energy: -102.997
bonds (distance) P-C4' energy: -77.215
flat angles C4'-P-C4' energy: -52.994
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: 1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1296.202580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.202580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.202580 (E_RNA)
where:
Base-Base interactions energy: -800.161
where: short stacking energy: -419.494
Base-Backbone interact. energy: -0.638
local terms energy: -495.403871
where:
bonds (distance) C4'-P energy: -102.467
bonds (distance) P-C4' energy: -107.178
flat angles C4'-P-C4' energy: -110.899
flat angles P-C4'-P energy: -72.204
tors. eta vs tors. theta energy: -102.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1102.122215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.122215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.122215 (E_RNA)
where:
Base-Base interactions energy: -619.145
where: short stacking energy: -332.971
Base-Backbone interact. energy: -1.133
local terms energy: -481.844367
where:
bonds (distance) C4'-P energy: -104.125
bonds (distance) P-C4' energy: -109.904
flat angles C4'-P-C4' energy: -105.663
flat angles P-C4'-P energy: -73.830
tors. eta vs tors. theta energy: -88.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -965.738220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.738220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.738220 (E_RNA)
where:
Base-Base interactions energy: -539.281
where: short stacking energy: -338.737
Base-Backbone interact. energy: -0.598
local terms energy: -425.858473
where:
bonds (distance) C4'-P energy: -84.494
bonds (distance) P-C4' energy: -99.319
flat angles C4'-P-C4' energy: -95.560
flat angles P-C4'-P energy: -60.091
tors. eta vs tors. theta energy: -86.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -878.978541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.978541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.978541 (E_RNA)
where:
Base-Base interactions energy: -483.741
where: short stacking energy: -323.978
Base-Backbone interact. energy: -1.034
local terms energy: -394.203801
where:
bonds (distance) C4'-P energy: -99.443
bonds (distance) P-C4' energy: -101.457
flat angles C4'-P-C4' energy: -83.508
flat angles P-C4'-P energy: -40.734
tors. eta vs tors. theta energy: -69.061
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: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -781.084625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.084625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.084625 (E_RNA)
where:
Base-Base interactions energy: -384.990
where: short stacking energy: -245.784
Base-Backbone interact. energy: 1.600
local terms energy: -397.695107
where:
bonds (distance) C4'-P energy: -101.946
bonds (distance) P-C4' energy: -101.633
flat angles C4'-P-C4' energy: -91.842
flat angles P-C4'-P energy: -51.001
tors. eta vs tors. theta energy: -51.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -651.188254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.188254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.188254 (E_RNA)
where:
Base-Base interactions energy: -302.738
where: short stacking energy: -200.263
Base-Backbone interact. energy: -2.257
local terms energy: -346.192752
where:
bonds (distance) C4'-P energy: -86.437
bonds (distance) P-C4' energy: -88.355
flat angles C4'-P-C4' energy: -95.489
flat angles P-C4'-P energy: -59.931
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -531.156556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.156556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.156556 (E_RNA)
where:
Base-Base interactions energy: -207.645
where: short stacking energy: -145.355
Base-Backbone interact. energy: 0.010
local terms energy: -323.521603
where:
bonds (distance) C4'-P energy: -79.012
bonds (distance) P-C4' energy: -103.094
flat angles C4'-P-C4' energy: -89.044
flat angles P-C4'-P energy: -40.236
tors. eta vs tors. theta energy: -12.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -485.909130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.909130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.909130 (E_RNA)
where:
Base-Base interactions energy: -169.013
where: short stacking energy: -131.906
Base-Backbone interact. energy: -0.322
local terms energy: -316.574337
where:
bonds (distance) C4'-P energy: -93.075
bonds (distance) P-C4' energy: -94.829
flat angles C4'-P-C4' energy: -85.773
flat angles P-C4'-P energy: -49.064
tors. eta vs tors. theta energy: 6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -555.247365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.247365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.247365 (E_RNA)
where:
Base-Base interactions energy: -275.467
where: short stacking energy: -176.739
Base-Backbone interact. energy: 6.089
local terms energy: -285.869291
where:
bonds (distance) C4'-P energy: -85.024
bonds (distance) P-C4' energy: -65.365
flat angles C4'-P-C4' energy: -73.020
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -404.559643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.559643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.559643 (E_RNA)
where:
Base-Base interactions energy: -149.090
where: short stacking energy: -104.075
Base-Backbone interact. energy: -0.634
local terms energy: -254.835185
where:
bonds (distance) C4'-P energy: -85.869
bonds (distance) P-C4' energy: -83.339
flat angles C4'-P-C4' energy: -65.801
flat angles P-C4'-P energy: -36.314
tors. eta vs tors. theta energy: 16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1324.687666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.687666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.687666 (E_RNA)
where:
Base-Base interactions energy: -833.842
where: short stacking energy: -417.123
Base-Backbone interact. energy: 1.083
local terms energy: -491.928161
where:
bonds (distance) C4'-P energy: -91.174
bonds (distance) P-C4' energy: -112.277
flat angles C4'-P-C4' energy: -115.401
flat angles P-C4'-P energy: -71.451
tors. eta vs tors. theta energy: -101.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1115.966345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.966345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.966345 (E_RNA)
where:
Base-Base interactions energy: -654.005
where: short stacking energy: -386.253
Base-Backbone interact. energy: -1.096
local terms energy: -460.865204
where:
bonds (distance) C4'-P energy: -96.124
bonds (distance) P-C4' energy: -98.754
flat angles C4'-P-C4' energy: -97.652
flat angles P-C4'-P energy: -70.994
tors. eta vs tors. theta energy: -97.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -995.984197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.984197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.984197 (E_RNA)
where:
Base-Base interactions energy: -558.409
where: short stacking energy: -321.680
Base-Backbone interact. energy: -2.168
local terms energy: -435.407223
where:
bonds (distance) C4'-P energy: -97.881
bonds (distance) P-C4' energy: -112.060
flat angles C4'-P-C4' energy: -100.921
flat angles P-C4'-P energy: -57.196
tors. eta vs tors. theta energy: -67.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -882.636485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.636485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.636485 (E_RNA)
where:
Base-Base interactions energy: -466.500
where: short stacking energy: -282.139
Base-Backbone interact. energy: 1.554
local terms energy: -417.690760
where:
bonds (distance) C4'-P energy: -100.300
bonds (distance) P-C4' energy: -101.461
flat angles C4'-P-C4' energy: -87.983
flat angles P-C4'-P energy: -57.925
tors. eta vs tors. theta energy: -70.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -812.861557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.861557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.861557 (E_RNA)
where:
Base-Base interactions energy: -415.809
where: short stacking energy: -269.788
Base-Backbone interact. energy: 1.033
local terms energy: -398.085959
where:
bonds (distance) C4'-P energy: -89.588
bonds (distance) P-C4' energy: -89.927
flat angles C4'-P-C4' energy: -92.366
flat angles P-C4'-P energy: -72.851
tors. eta vs tors. theta energy: -53.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -619.793944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.793944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.793944 (E_RNA)
where:
Base-Base interactions energy: -255.920
where: short stacking energy: -188.479
Base-Backbone interact. energy: -3.121
local terms energy: -360.753184
where:
bonds (distance) C4'-P energy: -99.268
bonds (distance) P-C4' energy: -89.486
flat angles C4'-P-C4' energy: -79.686
flat angles P-C4'-P energy: -66.535
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -609.533620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.533620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.533620 (E_RNA)
where:
Base-Base interactions energy: -285.356
where: short stacking energy: -195.884
Base-Backbone interact. energy: -1.971
local terms energy: -322.206063
where:
bonds (distance) C4'-P energy: -90.090
bonds (distance) P-C4' energy: -94.029
flat angles C4'-P-C4' energy: -73.916
flat angles P-C4'-P energy: -42.222
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -504.308770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.308770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.308770 (E_RNA)
where:
Base-Base interactions energy: -218.709
where: short stacking energy: -168.609
Base-Backbone interact. energy: -0.534
local terms energy: -285.065696
where:
bonds (distance) C4'-P energy: -72.579
bonds (distance) P-C4' energy: -93.458
flat angles C4'-P-C4' energy: -79.742
flat angles P-C4'-P energy: -37.255
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -525.031492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.031492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.031492 (E_RNA)
where:
Base-Base interactions energy: -246.614
where: short stacking energy: -157.530
Base-Backbone interact. energy: -0.266
local terms energy: -278.151300
where:
bonds (distance) C4'-P energy: -85.475
bonds (distance) P-C4' energy: -79.825
flat angles C4'-P-C4' energy: -77.353
flat angles P-C4'-P energy: -30.177
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -395.000566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.000566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.000566 (E_RNA)
where:
Base-Base interactions energy: -120.702
where: short stacking energy: -101.383
Base-Backbone interact. energy: -1.024
local terms energy: -273.274670
where:
bonds (distance) C4'-P energy: -84.865
bonds (distance) P-C4' energy: -87.442
flat angles C4'-P-C4' energy: -72.066
flat angles P-C4'-P energy: -44.466
tors. eta vs tors. theta energy: 15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1338.295529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.295529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.295529 (E_RNA)
where:
Base-Base interactions energy: -833.343
where: short stacking energy: -438.839
Base-Backbone interact. energy: -1.622
local terms energy: -503.330427
where:
bonds (distance) C4'-P energy: -86.889
bonds (distance) P-C4' energy: -112.335
flat angles C4'-P-C4' energy: -113.709
flat angles P-C4'-P energy: -81.722
tors. eta vs tors. theta energy: -108.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1105.523035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.523035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.523035 (E_RNA)
where:
Base-Base interactions energy: -624.050
where: short stacking energy: -347.709
Base-Backbone interact. energy: -1.538
local terms energy: -479.935547
where:
bonds (distance) C4'-P energy: -102.980
bonds (distance) P-C4' energy: -102.187
flat angles C4'-P-C4' energy: -102.726
flat angles P-C4'-P energy: -79.111
tors. eta vs tors. theta energy: -92.930
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: 3, replica: 5
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1031.800669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.800669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.800669 (E_RNA)
where:
Base-Base interactions energy: -592.984
where: short stacking energy: -324.231
Base-Backbone interact. energy: -0.637
local terms energy: -438.179279
where:
bonds (distance) C4'-P energy: -106.105
bonds (distance) P-C4' energy: -95.467
flat angles C4'-P-C4' energy: -101.388
flat angles P-C4'-P energy: -64.073
tors. eta vs tors. theta energy: -71.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -906.954952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.954952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.954952 (E_RNA)
where:
Base-Base interactions energy: -467.272
where: short stacking energy: -283.488
Base-Backbone interact. energy: -1.919
local terms energy: -437.763939
where:
bonds (distance) C4'-P energy: -87.463
bonds (distance) P-C4' energy: -101.841
flat angles C4'-P-C4' energy: -105.915
flat angles P-C4'-P energy: -73.990
tors. eta vs tors. theta energy: -68.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -797.599875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.599875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.599875 (E_RNA)
where:
Base-Base interactions energy: -411.872
where: short stacking energy: -273.023
Base-Backbone interact. energy: -0.439
local terms energy: -385.289373
where:
bonds (distance) C4'-P energy: -100.095
bonds (distance) P-C4' energy: -95.454
flat angles C4'-P-C4' energy: -93.976
flat angles P-C4'-P energy: -60.613
tors. eta vs tors. theta energy: -35.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -667.950146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.950146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.950146 (E_RNA)
where:
Base-Base interactions energy: -333.273
where: short stacking energy: -212.458
Base-Backbone interact. energy: -1.850
local terms energy: -332.827706
where:
bonds (distance) C4'-P energy: -92.824
bonds (distance) P-C4' energy: -88.702
flat angles C4'-P-C4' energy: -82.892
flat angles P-C4'-P energy: -48.648
tors. eta vs tors. theta energy: -19.761
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: 7, replica: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -610.448508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.448508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.448508 (E_RNA)
where:
Base-Base interactions energy: -277.655
where: short stacking energy: -191.924
Base-Backbone interact. energy: -0.559
local terms energy: -332.234365
where:
bonds (distance) C4'-P energy: -91.274
bonds (distance) P-C4' energy: -96.234
flat angles C4'-P-C4' energy: -78.650
flat angles P-C4'-P energy: -46.333
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -544.616883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.616883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.616883 (E_RNA)
where:
Base-Base interactions energy: -221.121
where: short stacking energy: -154.050
Base-Backbone interact. energy: 2.096
local terms energy: -325.592344
where:
bonds (distance) C4'-P energy: -86.876
bonds (distance) P-C4' energy: -93.324
flat angles C4'-P-C4' energy: -89.183
flat angles P-C4'-P energy: -53.853
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -569.362986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.362986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.362986 (E_RNA)
where:
Base-Base interactions energy: -279.537
where: short stacking energy: -154.041
Base-Backbone interact. energy: 0.992
local terms energy: -290.817669
where:
bonds (distance) C4'-P energy: -81.445
bonds (distance) P-C4' energy: -102.491
flat angles C4'-P-C4' energy: -78.216
flat angles P-C4'-P energy: -36.655
tors. eta vs tors. theta energy: 7.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -405.300065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.300065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.300065 (E_RNA)
where:
Base-Base interactions energy: -143.997
where: short stacking energy: -114.968
Base-Backbone interact. energy: 1.360
local terms energy: -262.662933
where:
bonds (distance) C4'-P energy: -72.171
bonds (distance) P-C4' energy: -87.144
flat angles C4'-P-C4' energy: -84.069
flat angles P-C4'-P energy: -29.536
tors. eta vs tors. theta energy: 10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1380.310425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.310425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.310425 (E_RNA)
where:
Base-Base interactions energy: -845.166
where: short stacking energy: -406.480
Base-Backbone interact. energy: 1.375
local terms energy: -536.519757
where:
bonds (distance) C4'-P energy: -109.021
bonds (distance) P-C4' energy: -109.714
flat angles C4'-P-C4' energy: -123.968
flat angles P-C4'-P energy: -83.701
tors. eta vs tors. theta energy: -110.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1083.147602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.147602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.147602 (E_RNA)
where:
Base-Base interactions energy: -609.503
where: short stacking energy: -367.904
Base-Backbone interact. energy: -1.216
local terms energy: -472.429078
where:
bonds (distance) C4'-P energy: -105.178
bonds (distance) P-C4' energy: -106.842
flat angles C4'-P-C4' energy: -103.145
flat angles P-C4'-P energy: -66.212
tors. eta vs tors. theta energy: -91.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1055.113623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.113623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.113623 (E_RNA)
where:
Base-Base interactions energy: -628.022
where: short stacking energy: -331.358
Base-Backbone interact. energy: -0.089
local terms energy: -427.002796
where:
bonds (distance) C4'-P energy: -105.710
bonds (distance) P-C4' energy: -97.992
flat angles C4'-P-C4' energy: -96.349
flat angles P-C4'-P energy: -65.106
tors. eta vs tors. theta energy: -61.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -902.949761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.949761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.949761 (E_RNA)
where:
Base-Base interactions energy: -477.718
where: short stacking energy: -293.950
Base-Backbone interact. energy: -0.646
local terms energy: -424.585925
where:
bonds (distance) C4'-P energy: -99.870
bonds (distance) P-C4' energy: -108.298
flat angles C4'-P-C4' energy: -96.291
flat angles P-C4'-P energy: -63.145
tors. eta vs tors. theta energy: -56.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -779.855002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.855002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.855002 (E_RNA)
where:
Base-Base interactions energy: -407.833
where: short stacking energy: -250.860
Base-Backbone interact. energy: -1.410
local terms energy: -370.611823
where:
bonds (distance) C4'-P energy: -81.073
bonds (distance) P-C4' energy: -100.250
flat angles C4'-P-C4' energy: -92.534
flat angles P-C4'-P energy: -56.695
tors. eta vs tors. theta energy: -40.059
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: 6, replica: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -655.872299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.872299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.872299 (E_RNA)
where:
Base-Base interactions energy: -333.986
where: short stacking energy: -207.959
Base-Backbone interact. energy: -1.845
local terms energy: -320.041586
where:
bonds (distance) C4'-P energy: -90.854
bonds (distance) P-C4' energy: -102.589
flat angles C4'-P-C4' energy: -73.595
flat angles P-C4'-P energy: -40.448
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -588.541829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.541829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.541829 (E_RNA)
where:
Base-Base interactions energy: -248.926
where: short stacking energy: -163.089
Base-Backbone interact. energy: -2.149
local terms energy: -337.466755
where:
bonds (distance) C4'-P energy: -94.163
bonds (distance) P-C4' energy: -88.068
flat angles C4'-P-C4' energy: -87.098
flat angles P-C4'-P energy: -48.409
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -509.434945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.434945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.434945 (E_RNA)
where:
Base-Base interactions energy: -216.819
where: short stacking energy: -144.693
Base-Backbone interact. energy: -0.330
local terms energy: -292.285131
where:
bonds (distance) C4'-P energy: -90.531
bonds (distance) P-C4' energy: -86.602
flat angles C4'-P-C4' energy: -78.634
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -11.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -475.845459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.845459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.845459 (E_RNA)
where:
Base-Base interactions energy: -187.034
where: short stacking energy: -135.637
Base-Backbone interact. energy: 2.470
local terms energy: -291.281787
where:
bonds (distance) C4'-P energy: -86.251
bonds (distance) P-C4' energy: -98.839
flat angles C4'-P-C4' energy: -72.096
flat angles P-C4'-P energy: -34.725
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -398.612639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.612639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.612639 (E_RNA)
where:
Base-Base interactions energy: -134.572
where: short stacking energy: -125.943
Base-Backbone interact. energy: 8.191
local terms energy: -272.231883
where:
bonds (distance) C4'-P energy: -82.353
bonds (distance) P-C4' energy: -92.450
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -45.827
tors. eta vs tors. theta energy: 15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1371.641402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.641402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.641402 (E_RNA)
where:
Base-Base interactions energy: -896.187
where: short stacking energy: -425.932
Base-Backbone interact. energy: -1.396
local terms energy: -474.057967
where:
bonds (distance) C4'-P energy: -103.353
bonds (distance) P-C4' energy: -101.589
flat angles C4'-P-C4' energy: -102.373
flat angles P-C4'-P energy: -52.026
tors. eta vs tors. theta energy: -114.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1156.983876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.983876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.983876 (E_RNA)
where:
Base-Base interactions energy: -687.684
where: short stacking energy: -389.717
Base-Backbone interact. energy: -0.665
local terms energy: -468.634564
where:
bonds (distance) C4'-P energy: -87.235
bonds (distance) P-C4' energy: -94.234
flat angles C4'-P-C4' energy: -116.173
flat angles P-C4'-P energy: -71.388
tors. eta vs tors. theta energy: -99.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1030.635232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.635232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.635232 (E_RNA)
where:
Base-Base interactions energy: -609.421
where: short stacking energy: -337.337
Base-Backbone interact. energy: -2.273
local terms energy: -418.941748
where:
bonds (distance) C4'-P energy: -99.598
bonds (distance) P-C4' energy: -91.609
flat angles C4'-P-C4' energy: -85.686
flat angles P-C4'-P energy: -56.285
tors. eta vs tors. theta energy: -85.765
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: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -883.535674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.535674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.535674 (E_RNA)
where:
Base-Base interactions energy: -465.626
where: short stacking energy: -296.868
Base-Backbone interact. energy: -0.247
local terms energy: -417.663057
where:
bonds (distance) C4'-P energy: -104.824
bonds (distance) P-C4' energy: -93.201
flat angles C4'-P-C4' energy: -94.767
flat angles P-C4'-P energy: -58.426
tors. eta vs tors. theta energy: -66.445
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: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -769.533938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.533938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.533938 (E_RNA)
where:
Base-Base interactions energy: -390.778
where: short stacking energy: -245.427
Base-Backbone interact. energy: 0.390
local terms energy: -379.145434
where:
bonds (distance) C4'-P energy: -99.711
bonds (distance) P-C4' energy: -90.673
flat angles C4'-P-C4' energy: -91.562
flat angles P-C4'-P energy: -68.152
tors. eta vs tors. theta energy: -29.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -700.143860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.143860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.143860 (E_RNA)
where:
Base-Base interactions energy: -337.782
where: short stacking energy: -204.731
Base-Backbone interact. energy: 0.562
local terms energy: -362.924223
where:
bonds (distance) C4'-P energy: -91.396
bonds (distance) P-C4' energy: -103.836
flat angles C4'-P-C4' energy: -86.806
flat angles P-C4'-P energy: -59.451
tors. eta vs tors. theta energy: -21.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -579.307157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.307157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.307157 (E_RNA)
where:
Base-Base interactions energy: -248.599
where: short stacking energy: -186.022
Base-Backbone interact. energy: 0.977
local terms energy: -331.685079
where:
bonds (distance) C4'-P energy: -100.944
bonds (distance) P-C4' energy: -90.604
flat angles C4'-P-C4' energy: -72.853
flat angles P-C4'-P energy: -48.851
tors. eta vs tors. theta energy: -18.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -570.645486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.645486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.645486 (E_RNA)
where:
Base-Base interactions energy: -264.192
where: short stacking energy: -163.469
Base-Backbone interact. energy: 1.790
local terms energy: -308.243488
where:
bonds (distance) C4'-P energy: -80.801
bonds (distance) P-C4' energy: -91.905
flat angles C4'-P-C4' energy: -80.316
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -457.841282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.841282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.841282 (E_RNA)
where:
Base-Base interactions energy: -190.816
where: short stacking energy: -129.179
Base-Backbone interact. energy: -1.116
local terms energy: -265.909559
where:
bonds (distance) C4'-P energy: -80.377
bonds (distance) P-C4' energy: -80.145
flat angles C4'-P-C4' energy: -77.589
flat angles P-C4'-P energy: -38.645
tors. eta vs tors. theta energy: 10.845
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: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -391.542454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.542454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.542454 (E_RNA)
where:
Base-Base interactions energy: -126.901
where: short stacking energy: -111.574
Base-Backbone interact. energy: 1.288
local terms energy: -265.929235
where:
bonds (distance) C4'-P energy: -83.267
bonds (distance) P-C4' energy: -80.513
flat angles C4'-P-C4' energy: -73.373
flat angles P-C4'-P energy: -53.805
tors. eta vs tors. theta energy: 25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1370.454602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.454602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.454602 (E_RNA)
where:
Base-Base interactions energy: -880.857
where: short stacking energy: -437.683
Base-Backbone interact. energy: -1.265
local terms energy: -488.332804
where:
bonds (distance) C4'-P energy: -103.063
bonds (distance) P-C4' energy: -98.217
flat angles C4'-P-C4' energy: -109.068
flat angles P-C4'-P energy: -64.669
tors. eta vs tors. theta energy: -113.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1141.873873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.873873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.873873 (E_RNA)
where:
Base-Base interactions energy: -679.829
where: short stacking energy: -348.187
Base-Backbone interact. energy: -1.904
local terms energy: -460.140425
where:
bonds (distance) C4'-P energy: -94.011
bonds (distance) P-C4' energy: -98.860
flat angles C4'-P-C4' energy: -105.913
flat angles P-C4'-P energy: -58.637
tors. eta vs tors. theta energy: -102.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1040.892161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.892161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.892161 (E_RNA)
where:
Base-Base interactions energy: -582.884
where: short stacking energy: -334.024
Base-Backbone interact. energy: -1.297
local terms energy: -456.710921
where:
bonds (distance) C4'-P energy: -95.574
bonds (distance) P-C4' energy: -100.469
flat angles C4'-P-C4' energy: -101.333
flat angles P-C4'-P energy: -66.063
tors. eta vs tors. theta energy: -93.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -910.523155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.523155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.523155 (E_RNA)
where:
Base-Base interactions energy: -505.178
where: short stacking energy: -327.510
Base-Backbone interact. energy: -2.288
local terms energy: -403.056900
where:
bonds (distance) C4'-P energy: -86.078
bonds (distance) P-C4' energy: -99.995
flat angles C4'-P-C4' energy: -94.434
flat angles P-C4'-P energy: -46.697
tors. eta vs tors. theta energy: -75.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -829.005289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.005289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.005289 (E_RNA)
where:
Base-Base interactions energy: -468.061
where: short stacking energy: -259.105
Base-Backbone interact. energy: -1.395
local terms energy: -359.549144
where:
bonds (distance) C4'-P energy: -89.770
bonds (distance) P-C4' energy: -84.730
flat angles C4'-P-C4' energy: -98.875
flat angles P-C4'-P energy: -42.438
tors. eta vs tors. theta energy: -43.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -713.942585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.942585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.942585 (E_RNA)
where:
Base-Base interactions energy: -359.536
where: short stacking energy: -213.863
Base-Backbone interact. energy: 0.710
local terms energy: -355.116892
where:
bonds (distance) C4'-P energy: -82.505
bonds (distance) P-C4' energy: -92.143
flat angles C4'-P-C4' energy: -89.113
flat angles P-C4'-P energy: -54.886
tors. eta vs tors. theta energy: -36.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -640.434093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.434093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.434093 (E_RNA)
where:
Base-Base interactions energy: -295.163
where: short stacking energy: -206.755
Base-Backbone interact. energy: -0.781
local terms energy: -344.489921
where:
bonds (distance) C4'-P energy: -86.038
bonds (distance) P-C4' energy: -102.359
flat angles C4'-P-C4' energy: -81.725
flat angles P-C4'-P energy: -52.288
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -604.621986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.621986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.621986 (E_RNA)
where:
Base-Base interactions energy: -282.938
where: short stacking energy: -179.042
Base-Backbone interact. energy: -1.769
local terms energy: -319.914833
where:
bonds (distance) C4'-P energy: -73.377
bonds (distance) P-C4' energy: -90.539
flat angles C4'-P-C4' energy: -73.725
flat angles P-C4'-P energy: -60.595
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -475.621695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.621695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.621695 (E_RNA)
where:
Base-Base interactions energy: -209.231
where: short stacking energy: -134.429
Base-Backbone interact. energy: 0.782
local terms energy: -267.172589
where:
bonds (distance) C4'-P energy: -87.274
bonds (distance) P-C4' energy: -96.081
flat angles C4'-P-C4' energy: -66.863
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: 16.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -437.198145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.198145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.198145 (E_RNA)
where:
Base-Base interactions energy: -166.170
where: short stacking energy: -109.009
Base-Backbone interact. energy: -0.952
local terms energy: -270.075724
where:
bonds (distance) C4'-P energy: -84.295
bonds (distance) P-C4' energy: -78.194
flat angles C4'-P-C4' energy: -72.074
flat angles P-C4'-P energy: -52.046
tors. eta vs tors. theta energy: 16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1392.342447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.342447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.342447 (E_RNA)
where:
Base-Base interactions energy: -888.142
where: short stacking energy: -437.209
Base-Backbone interact. energy: -2.774
local terms energy: -501.426395
where:
bonds (distance) C4'-P energy: -105.854
bonds (distance) P-C4' energy: -115.015
flat angles C4'-P-C4' energy: -101.609
flat angles P-C4'-P energy: -64.654
tors. eta vs tors. theta energy: -114.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1172.821391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.821391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.821391 (E_RNA)
where:
Base-Base interactions energy: -699.335
where: short stacking energy: -371.961
Base-Backbone interact. energy: -0.763
local terms energy: -472.723349
where:
bonds (distance) C4'-P energy: -104.120
bonds (distance) P-C4' energy: -103.286
flat angles C4'-P-C4' energy: -115.977
flat angles P-C4'-P energy: -69.206
tors. eta vs tors. theta energy: -80.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1071.279885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.279885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.279885 (E_RNA)
where:
Base-Base interactions energy: -605.161
where: short stacking energy: -374.075
Base-Backbone interact. energy: -1.336
local terms energy: -464.782819
where:
bonds (distance) C4'-P energy: -100.732
bonds (distance) P-C4' energy: -99.233
flat angles C4'-P-C4' energy: -110.576
flat angles P-C4'-P energy: -60.929
tors. eta vs tors. theta energy: -93.312
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: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -904.231493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.231493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.231493 (E_RNA)
where:
Base-Base interactions energy: -478.938
where: short stacking energy: -303.561
Base-Backbone interact. energy: -1.884
local terms energy: -423.409334
where:
bonds (distance) C4'-P energy: -94.987
bonds (distance) P-C4' energy: -101.415
flat angles C4'-P-C4' energy: -76.774
flat angles P-C4'-P energy: -72.834
tors. eta vs tors. theta energy: -77.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -870.194851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.194851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.194851 (E_RNA)
where:
Base-Base interactions energy: -498.039
where: short stacking energy: -270.026
Base-Backbone interact. energy: 4.341
local terms energy: -376.496895
where:
bonds (distance) C4'-P energy: -86.745
bonds (distance) P-C4' energy: -98.616
flat angles C4'-P-C4' energy: -91.574
flat angles P-C4'-P energy: -56.296
tors. eta vs tors. theta energy: -43.266
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: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -706.945393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.945393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.945393 (E_RNA)
where:
Base-Base interactions energy: -326.236
where: short stacking energy: -214.377
Base-Backbone interact. energy: 2.267
local terms energy: -382.976362
where:
bonds (distance) C4'-P energy: -100.472
bonds (distance) P-C4' energy: -113.164
flat angles C4'-P-C4' energy: -78.837
flat angles P-C4'-P energy: -59.056
tors. eta vs tors. theta energy: -31.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -608.506386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.506386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.506386 (E_RNA)
where:
Base-Base interactions energy: -302.086
where: short stacking energy: -190.212
Base-Backbone interact. energy: -1.985
local terms energy: -304.436109
where:
bonds (distance) C4'-P energy: -89.892
bonds (distance) P-C4' energy: -95.902
flat angles C4'-P-C4' energy: -66.683
flat angles P-C4'-P energy: -49.569
tors. eta vs tors. theta energy: -2.390
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: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -641.220896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.220896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.220896 (E_RNA)
where:
Base-Base interactions energy: -312.083
where: short stacking energy: -163.893
Base-Backbone interact. energy: -1.101
local terms energy: -328.036106
where:
bonds (distance) C4'-P energy: -93.099
bonds (distance) P-C4' energy: -95.636
flat angles C4'-P-C4' energy: -85.462
flat angles P-C4'-P energy: -50.522
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -472.768349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.768349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.768349 (E_RNA)
where:
Base-Base interactions energy: -177.764
where: short stacking energy: -131.291
Base-Backbone interact. energy: 2.941
local terms energy: -297.945756
where:
bonds (distance) C4'-P energy: -89.994
bonds (distance) P-C4' energy: -91.455
flat angles C4'-P-C4' energy: -80.990
flat angles P-C4'-P energy: -44.142
tors. eta vs tors. theta energy: 8.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -514.037006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.037006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.037006 (E_RNA)
where:
Base-Base interactions energy: -234.703
where: short stacking energy: -154.081
Base-Backbone interact. energy: 0.217
local terms energy: -280.545650
where:
bonds (distance) C4'-P energy: -85.083
bonds (distance) P-C4' energy: -87.011
flat angles C4'-P-C4' energy: -62.478
flat angles P-C4'-P energy: -46.177
tors. eta vs tors. theta energy: 0.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.995 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1397.582775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.582775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.582775 (E_RNA)
where:
Base-Base interactions energy: -894.118
where: short stacking energy: -415.114
Base-Backbone interact. energy: -1.091
local terms energy: -502.373905
where:
bonds (distance) C4'-P energy: -104.279
bonds (distance) P-C4' energy: -105.059
flat angles C4'-P-C4' energy: -107.395
flat angles P-C4'-P energy: -76.558
tors. eta vs tors. theta energy: -109.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1183.006958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.006958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.006958 (E_RNA)
where:
Base-Base interactions energy: -699.348
where: short stacking energy: -375.396
Base-Backbone interact. energy: -0.479
local terms energy: -483.180267
where:
bonds (distance) C4'-P energy: -94.431
bonds (distance) P-C4' energy: -113.150
flat angles C4'-P-C4' energy: -112.491
flat angles P-C4'-P energy: -77.790
tors. eta vs tors. theta energy: -85.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1039.677902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.677902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.677902 (E_RNA)
where:
Base-Base interactions energy: -567.913
where: short stacking energy: -347.057
Base-Backbone interact. energy: -1.949
local terms energy: -469.816415
where:
bonds (distance) C4'-P energy: -104.219
bonds (distance) P-C4' energy: -101.329
flat angles C4'-P-C4' energy: -103.377
flat angles P-C4'-P energy: -70.263
tors. eta vs tors. theta energy: -90.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -902.163119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.163119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.163119 (E_RNA)
where:
Base-Base interactions energy: -486.155
where: short stacking energy: -290.672
Base-Backbone interact. energy: -0.225
local terms energy: -415.782355
where:
bonds (distance) C4'-P energy: -93.100
bonds (distance) P-C4' energy: -87.499
flat angles C4'-P-C4' energy: -100.208
flat angles P-C4'-P energy: -65.092
tors. eta vs tors. theta energy: -69.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -862.874092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.874092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.874092 (E_RNA)
where:
Base-Base interactions energy: -505.410
where: short stacking energy: -273.823
Base-Backbone interact. energy: -0.561
local terms energy: -356.902946
where:
bonds (distance) C4'-P energy: -84.112
bonds (distance) P-C4' energy: -81.552
flat angles C4'-P-C4' energy: -93.174
flat angles P-C4'-P energy: -63.438
tors. eta vs tors. theta energy: -34.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -696.592962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.592962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.592962 (E_RNA)
where:
Base-Base interactions energy: -336.751
where: short stacking energy: -216.950
Base-Backbone interact. energy: -0.031
local terms energy: -359.811352
where:
bonds (distance) C4'-P energy: -83.771
bonds (distance) P-C4' energy: -95.723
flat angles C4'-P-C4' energy: -91.791
flat angles P-C4'-P energy: -62.638
tors. eta vs tors. theta energy: -25.888
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: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -690.808577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.808577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.808577 (E_RNA)
where:
Base-Base interactions energy: -326.702
where: short stacking energy: -180.347
Base-Backbone interact. energy: 0.824
local terms energy: -364.929864
where:
bonds (distance) C4'-P energy: -104.432
bonds (distance) P-C4' energy: -87.175
flat angles C4'-P-C4' energy: -87.855
flat angles P-C4'-P energy: -57.441
tors. eta vs tors. theta energy: -28.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -574.101956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.101956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.101956 (E_RNA)
where:
Base-Base interactions energy: -279.542
where: short stacking energy: -184.287
Base-Backbone interact. energy: 0.269
local terms energy: -294.828243
where:
bonds (distance) C4'-P energy: -91.965
bonds (distance) P-C4' energy: -70.026
flat angles C4'-P-C4' energy: -76.021
flat angles P-C4'-P energy: -36.363
tors. eta vs tors. theta energy: -20.453
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: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -468.682492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.682492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.682492 (E_RNA)
where:
Base-Base interactions energy: -171.698
where: short stacking energy: -134.474
Base-Backbone interact. energy: -0.014
local terms energy: -296.970307
where:
bonds (distance) C4'-P energy: -93.886
bonds (distance) P-C4' energy: -96.871
flat angles C4'-P-C4' energy: -72.503
flat angles P-C4'-P energy: -30.387
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -464.924238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.924238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.924238 (E_RNA)
where:
Base-Base interactions energy: -189.647
where: short stacking energy: -124.289
Base-Backbone interact. energy: -0.370
local terms energy: -274.907395
where:
bonds (distance) C4'-P energy: -76.124
bonds (distance) P-C4' energy: -84.823
flat angles C4'-P-C4' energy: -72.140
flat angles P-C4'-P energy: -48.226
tors. eta vs tors. theta energy: 6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1419.725159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.725159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.725159 (E_RNA)
where:
Base-Base interactions energy: -903.386
where: short stacking energy: -438.302
Base-Backbone interact. energy: 0.443
local terms energy: -516.782039
where:
bonds (distance) C4'-P energy: -97.470
bonds (distance) P-C4' energy: -109.971
flat angles C4'-P-C4' energy: -115.586
flat angles P-C4'-P energy: -75.755
tors. eta vs tors. theta energy: -118.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1163.121468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.121468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.121468 (E_RNA)
where:
Base-Base interactions energy: -681.844
where: short stacking energy: -396.578
Base-Backbone interact. energy: -1.497
local terms energy: -479.780488
where:
bonds (distance) C4'-P energy: -92.526
bonds (distance) P-C4' energy: -108.491
flat angles C4'-P-C4' energy: -97.020
flat angles P-C4'-P energy: -74.236
tors. eta vs tors. theta energy: -107.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1089.882610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.882610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.882610 (E_RNA)
where:
Base-Base interactions energy: -642.342
where: short stacking energy: -382.425
Base-Backbone interact. energy: 3.139
local terms energy: -450.679256
where:
bonds (distance) C4'-P energy: -109.709
bonds (distance) P-C4' energy: -78.398
flat angles C4'-P-C4' energy: -102.168
flat angles P-C4'-P energy: -63.699
tors. eta vs tors. theta energy: -96.707
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: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -905.988672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.988672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.988672 (E_RNA)
where:
Base-Base interactions energy: -488.817
where: short stacking energy: -302.833
Base-Backbone interact. energy: -2.502
local terms energy: -414.670564
where:
bonds (distance) C4'-P energy: -94.717
bonds (distance) P-C4' energy: -113.652
flat angles C4'-P-C4' energy: -94.274
flat angles P-C4'-P energy: -45.410
tors. eta vs tors. theta energy: -66.617
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: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -896.804474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.804474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.804474 (E_RNA)
where:
Base-Base interactions energy: -520.478
where: short stacking energy: -280.923
Base-Backbone interact. energy: -1.288
local terms energy: -375.038991
where:
bonds (distance) C4'-P energy: -76.165
bonds (distance) P-C4' energy: -103.953
flat angles C4'-P-C4' energy: -97.367
flat angles P-C4'-P energy: -50.175
tors. eta vs tors. theta energy: -47.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -748.586031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.586031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.586031 (E_RNA)
where:
Base-Base interactions energy: -379.293
where: short stacking energy: -222.220
Base-Backbone interact. energy: 2.511
local terms energy: -371.803941
where:
bonds (distance) C4'-P energy: -77.674
bonds (distance) P-C4' energy: -103.300
flat angles C4'-P-C4' energy: -89.280
flat angles P-C4'-P energy: -59.715
tors. eta vs tors. theta energy: -41.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -658.720046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.720046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.720046 (E_RNA)
where:
Base-Base interactions energy: -336.596
where: short stacking energy: -215.802
Base-Backbone interact. energy: 1.664
local terms energy: -323.788191
where:
bonds (distance) C4'-P energy: -80.254
bonds (distance) P-C4' energy: -96.820
flat angles C4'-P-C4' energy: -55.034
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -576.845954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.845954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.845954 (E_RNA)
where:
Base-Base interactions energy: -264.036
where: short stacking energy: -161.536
Base-Backbone interact. energy: -0.282
local terms energy: -312.528713
where:
bonds (distance) C4'-P energy: -81.256
bonds (distance) P-C4' energy: -82.744
flat angles C4'-P-C4' energy: -93.405
flat angles P-C4'-P energy: -39.157
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -434.039885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.039885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.039885 (E_RNA)
where:
Base-Base interactions energy: -151.883
where: short stacking energy: -127.665
Base-Backbone interact. energy: 1.514
local terms energy: -283.671388
where:
bonds (distance) C4'-P energy: -91.084
bonds (distance) P-C4' energy: -85.260
flat angles C4'-P-C4' energy: -77.870
flat angles P-C4'-P energy: -32.085
tors. eta vs tors. theta energy: 2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -465.703836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.703836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.703836 (E_RNA)
where:
Base-Base interactions energy: -203.740
where: short stacking energy: -135.374
Base-Backbone interact. energy: -1.728
local terms energy: -260.236147
where:
bonds (distance) C4'-P energy: -64.648
bonds (distance) P-C4' energy: -80.416
flat angles C4'-P-C4' energy: -77.170
flat angles P-C4'-P energy: -48.661
tors. eta vs tors. theta energy: 10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1430.697107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.697107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.697107 (E_RNA)
where:
Base-Base interactions energy: -919.746
where: short stacking energy: -434.331
Base-Backbone interact. energy: -3.112
local terms energy: -507.839428
where:
bonds (distance) C4'-P energy: -102.327
bonds (distance) P-C4' energy: -106.463
flat angles C4'-P-C4' energy: -114.665
flat angles P-C4'-P energy: -67.352
tors. eta vs tors. theta energy: -117.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1162.373962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.373962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.373962 (E_RNA)
where:
Base-Base interactions energy: -678.768
where: short stacking energy: -384.656
Base-Backbone interact. energy: -2.086
local terms energy: -481.520197
where:
bonds (distance) C4'-P energy: -109.230
bonds (distance) P-C4' energy: -101.580
flat angles C4'-P-C4' energy: -107.977
flat angles P-C4'-P energy: -72.327
tors. eta vs tors. theta energy: -90.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1102.740299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.740299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.740299 (E_RNA)
where:
Base-Base interactions energy: -629.777
where: short stacking energy: -366.946
Base-Backbone interact. energy: -0.450
local terms energy: -472.513229
where:
bonds (distance) C4'-P energy: -96.705
bonds (distance) P-C4' energy: -106.829
flat angles C4'-P-C4' energy: -105.637
flat angles P-C4'-P energy: -72.923
tors. eta vs tors. theta energy: -90.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -949.432855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.432855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.432855 (E_RNA)
where:
Base-Base interactions energy: -536.495
where: short stacking energy: -341.535
Base-Backbone interact. energy: -1.588
local terms energy: -411.349579
where:
bonds (distance) C4'-P energy: -76.504
bonds (distance) P-C4' energy: -96.958
flat angles C4'-P-C4' energy: -98.199
flat angles P-C4'-P energy: -52.467
tors. eta vs tors. theta energy: -87.221
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: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -902.271592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.271592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.271592 (E_RNA)
where:
Base-Base interactions energy: -515.953
where: short stacking energy: -295.925
Base-Backbone interact. energy: -3.052
local terms energy: -383.267331
where:
bonds (distance) C4'-P energy: -79.900
bonds (distance) P-C4' energy: -91.214
flat angles C4'-P-C4' energy: -84.387
flat angles P-C4'-P energy: -74.346
tors. eta vs tors. theta energy: -53.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -708.255490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.255490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.255490 (E_RNA)
where:
Base-Base interactions energy: -354.091
where: short stacking energy: -217.552
Base-Backbone interact. energy: -0.518
local terms energy: -353.646117
where:
bonds (distance) C4'-P energy: -83.529
bonds (distance) P-C4' energy: -96.239
flat angles C4'-P-C4' energy: -89.430
flat angles P-C4'-P energy: -55.198
tors. eta vs tors. theta energy: -29.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -685.968586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.968586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.968586 (E_RNA)
where:
Base-Base interactions energy: -382.262
where: short stacking energy: -215.922
Base-Backbone interact. energy: -1.534
local terms energy: -302.172549
where:
bonds (distance) C4'-P energy: -78.630
bonds (distance) P-C4' energy: -81.540
flat angles C4'-P-C4' energy: -79.322
flat angles P-C4'-P energy: -42.036
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -624.215982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.215982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.215982 (E_RNA)
where:
Base-Base interactions energy: -266.385
where: short stacking energy: -174.390
Base-Backbone interact. energy: -1.853
local terms energy: -355.978326
where:
bonds (distance) C4'-P energy: -75.941
bonds (distance) P-C4' energy: -89.143
flat angles C4'-P-C4' energy: -88.995
flat angles P-C4'-P energy: -67.238
tors. eta vs tors. theta energy: -34.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -504.747328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.747328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.747328 (E_RNA)
where:
Base-Base interactions energy: -204.704
where: short stacking energy: -112.755
Base-Backbone interact. energy: 3.686
local terms energy: -303.728982
where:
bonds (distance) C4'-P energy: -68.326
bonds (distance) P-C4' energy: -99.150
flat angles C4'-P-C4' energy: -89.391
flat angles P-C4'-P energy: -48.037
tors. eta vs tors. theta energy: 1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -393.597396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.597396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.597396 (E_RNA)
where:
Base-Base interactions energy: -142.874
where: short stacking energy: -130.981
Base-Backbone interact. energy: -0.091
local terms energy: -250.632075
where:
bonds (distance) C4'-P energy: -86.960
bonds (distance) P-C4' energy: -88.792
flat angles C4'-P-C4' energy: -51.416
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: 6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1424.009440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.009440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.009440 (E_RNA)
where:
Base-Base interactions energy: -884.976
where: short stacking energy: -415.153
Base-Backbone interact. energy: -1.407
local terms energy: -537.626347
where:
bonds (distance) C4'-P energy: -111.488
bonds (distance) P-C4' energy: -109.181
flat angles C4'-P-C4' energy: -118.955
flat angles P-C4'-P energy: -75.811
tors. eta vs tors. theta energy: -122.191
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: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1180.275720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.275720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.275720 (E_RNA)
where:
Base-Base interactions energy: -705.903
where: short stacking energy: -414.559
Base-Backbone interact. energy: 1.485
local terms energy: -475.858268
where:
bonds (distance) C4'-P energy: -100.654
bonds (distance) P-C4' energy: -107.784
flat angles C4'-P-C4' energy: -106.368
flat angles P-C4'-P energy: -65.342
tors. eta vs tors. theta energy: -95.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1078.336121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.336121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.336121 (E_RNA)
where:
Base-Base interactions energy: -615.063
where: short stacking energy: -340.293
Base-Backbone interact. energy: -1.482
local terms energy: -461.791103
where:
bonds (distance) C4'-P energy: -98.616
bonds (distance) P-C4' energy: -97.642
flat angles C4'-P-C4' energy: -99.063
flat angles P-C4'-P energy: -76.378
tors. eta vs tors. theta energy: -90.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -998.795777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.795777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.795777 (E_RNA)
where:
Base-Base interactions energy: -577.584
where: short stacking energy: -308.334
Base-Backbone interact. energy: -1.008
local terms energy: -420.203868
where:
bonds (distance) C4'-P energy: -99.535
bonds (distance) P-C4' energy: -99.389
flat angles C4'-P-C4' energy: -109.014
flat angles P-C4'-P energy: -52.587
tors. eta vs tors. theta energy: -59.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -866.288248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.288248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.288248 (E_RNA)
where:
Base-Base interactions energy: -451.504
where: short stacking energy: -274.013
Base-Backbone interact. energy: 1.726
local terms energy: -416.510681
where:
bonds (distance) C4'-P energy: -94.633
bonds (distance) P-C4' energy: -102.979
flat angles C4'-P-C4' energy: -85.512
flat angles P-C4'-P energy: -71.322
tors. eta vs tors. theta energy: -62.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -808.115643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.115643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.115643 (E_RNA)
where:
Base-Base interactions energy: -434.825
where: short stacking energy: -217.512
Base-Backbone interact. energy: 2.484
local terms energy: -375.774454
where:
bonds (distance) C4'-P energy: -86.412
bonds (distance) P-C4' energy: -99.852
flat angles C4'-P-C4' energy: -90.869
flat angles P-C4'-P energy: -58.396
tors. eta vs tors. theta energy: -40.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -663.407773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.407773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.407773 (E_RNA)
where:
Base-Base interactions energy: -337.093
where: short stacking energy: -196.397
Base-Backbone interact. energy: -1.202
local terms energy: -325.113168
where:
bonds (distance) C4'-P energy: -90.143
bonds (distance) P-C4' energy: -92.072
flat angles C4'-P-C4' energy: -68.181
flat angles P-C4'-P energy: -55.919
tors. eta vs tors. theta energy: -18.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -604.395079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.395079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.395079 (E_RNA)
where:
Base-Base interactions energy: -294.393
where: short stacking energy: -180.204
Base-Backbone interact. energy: 0.770
local terms energy: -310.771779
where:
bonds (distance) C4'-P energy: -85.485
bonds (distance) P-C4' energy: -83.844
flat angles C4'-P-C4' energy: -84.658
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -524.753819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.753819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.753819 (E_RNA)
where:
Base-Base interactions energy: -261.720
where: short stacking energy: -174.920
Base-Backbone interact. energy: 1.587
local terms energy: -264.621257
where:
bonds (distance) C4'-P energy: -93.749
bonds (distance) P-C4' energy: -86.180
flat angles C4'-P-C4' energy: -62.112
flat angles P-C4'-P energy: -28.432
tors. eta vs tors. theta energy: 5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -386.821191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.821191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.821191 (E_RNA)
where:
Base-Base interactions energy: -134.113
where: short stacking energy: -119.018
Base-Backbone interact. energy: -0.093
local terms energy: -252.614799
where:
bonds (distance) C4'-P energy: -82.451
bonds (distance) P-C4' energy: -85.168
flat angles C4'-P-C4' energy: -56.565
flat angles P-C4'-P energy: -34.385
tors. eta vs tors. theta energy: 5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1427.847959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.847959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.847959 (E_RNA)
where:
Base-Base interactions energy: -908.676
where: short stacking energy: -442.038
Base-Backbone interact. energy: 6.352
local terms energy: -525.524384
where:
bonds (distance) C4'-P energy: -112.019
bonds (distance) P-C4' energy: -97.399
flat angles C4'-P-C4' energy: -111.281
flat angles P-C4'-P energy: -78.240
tors. eta vs tors. theta energy: -126.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1239.899064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.899064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.899064 (E_RNA)
where:
Base-Base interactions energy: -768.984
where: short stacking energy: -412.793
Base-Backbone interact. energy: 0.837
local terms energy: -471.752250
where:
bonds (distance) C4'-P energy: -91.296
bonds (distance) P-C4' energy: -104.166
flat angles C4'-P-C4' energy: -94.714
flat angles P-C4'-P energy: -78.337
tors. eta vs tors. theta energy: -103.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1098.530698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.530698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.530698 (E_RNA)
where:
Base-Base interactions energy: -658.108
where: short stacking energy: -364.961
Base-Backbone interact. energy: -1.715
local terms energy: -438.707156
where:
bonds (distance) C4'-P energy: -94.012
bonds (distance) P-C4' energy: -95.456
flat angles C4'-P-C4' energy: -102.141
flat angles P-C4'-P energy: -50.962
tors. eta vs tors. theta energy: -96.135
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: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1059.760559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.760559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.760559 (E_RNA)
where:
Base-Base interactions energy: -621.633
where: short stacking energy: -332.095
Base-Backbone interact. energy: -0.436
local terms energy: -437.691591
where:
bonds (distance) C4'-P energy: -98.037
bonds (distance) P-C4' energy: -102.889
flat angles C4'-P-C4' energy: -104.789
flat angles P-C4'-P energy: -62.824
tors. eta vs tors. theta energy: -69.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -868.529458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.529458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.529458 (E_RNA)
where:
Base-Base interactions energy: -483.754
where: short stacking energy: -278.791
Base-Backbone interact. energy: -1.536
local terms energy: -383.240078
where:
bonds (distance) C4'-P energy: -97.531
bonds (distance) P-C4' energy: -89.126
flat angles C4'-P-C4' energy: -90.545
flat angles P-C4'-P energy: -52.111
tors. eta vs tors. theta energy: -53.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -801.191805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.191805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.191805 (E_RNA)
where:
Base-Base interactions energy: -448.780
where: short stacking energy: -219.981
Base-Backbone interact. energy: -1.743
local terms energy: -350.669099
where:
bonds (distance) C4'-P energy: -79.160
bonds (distance) P-C4' energy: -102.771
flat angles C4'-P-C4' energy: -81.404
flat angles P-C4'-P energy: -62.873
tors. eta vs tors. theta energy: -24.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -669.597904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.597904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.597904 (E_RNA)
where:
Base-Base interactions energy: -332.782
where: short stacking energy: -215.746
Base-Backbone interact. energy: -0.983
local terms energy: -335.833451
where:
bonds (distance) C4'-P energy: -96.024
bonds (distance) P-C4' energy: -98.381
flat angles C4'-P-C4' energy: -73.409
flat angles P-C4'-P energy: -46.435
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -593.646371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.646371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.646371 (E_RNA)
where:
Base-Base interactions energy: -282.192
where: short stacking energy: -160.114
Base-Backbone interact. energy: 0.940
local terms energy: -312.394923
where:
bonds (distance) C4'-P energy: -83.065
bonds (distance) P-C4' energy: -99.856
flat angles C4'-P-C4' energy: -87.657
flat angles P-C4'-P energy: -43.975
tors. eta vs tors. theta energy: 2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -465.671223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.671223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.671223 (E_RNA)
where:
Base-Base interactions energy: -157.540
where: short stacking energy: -118.248
Base-Backbone interact. energy: 0.156
local terms energy: -308.287303
where:
bonds (distance) C4'-P energy: -87.252
bonds (distance) P-C4' energy: -103.908
flat angles C4'-P-C4' energy: -70.753
flat angles P-C4'-P energy: -52.251
tors. eta vs tors. theta energy: 5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -476.804524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.804524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.804524 (E_RNA)
where:
Base-Base interactions energy: -215.875
where: short stacking energy: -148.344
Base-Backbone interact. energy: 3.377
local terms energy: -264.306034
where:
bonds (distance) C4'-P energy: -79.976
bonds (distance) P-C4' energy: -76.995
flat angles C4'-P-C4' energy: -66.377
flat angles P-C4'-P energy: -40.539
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1394.871630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.871630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.871630 (E_RNA)
where:
Base-Base interactions energy: -892.095
where: short stacking energy: -407.431
Base-Backbone interact. energy: 0.310
local terms energy: -503.086605
where:
bonds (distance) C4'-P energy: -104.218
bonds (distance) P-C4' energy: -99.012
flat angles C4'-P-C4' energy: -106.851
flat angles P-C4'-P energy: -78.046
tors. eta vs tors. theta energy: -114.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1261.811002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.811002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.811002 (E_RNA)
where:
Base-Base interactions energy: -786.264
where: short stacking energy: -379.033
Base-Backbone interact. energy: -3.812
local terms energy: -471.735434
where:
bonds (distance) C4'-P energy: -108.378
bonds (distance) P-C4' energy: -105.660
flat angles C4'-P-C4' energy: -109.374
flat angles P-C4'-P energy: -57.847
tors. eta vs tors. theta energy: -90.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1106.531220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.531220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.531220 (E_RNA)
where:
Base-Base interactions energy: -640.381
where: short stacking energy: -369.078
Base-Backbone interact. energy: -1.162
local terms energy: -464.987926
where:
bonds (distance) C4'-P energy: -99.674
bonds (distance) P-C4' energy: -99.880
flat angles C4'-P-C4' energy: -91.348
flat angles P-C4'-P energy: -74.993
tors. eta vs tors. theta energy: -99.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1070.488987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.488987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.488987 (E_RNA)
where:
Base-Base interactions energy: -641.701
where: short stacking energy: -326.002
Base-Backbone interact. energy: -1.844
local terms energy: -426.943697
where:
bonds (distance) C4'-P energy: -90.617
bonds (distance) P-C4' energy: -94.881
flat angles C4'-P-C4' energy: -89.779
flat angles P-C4'-P energy: -66.477
tors. eta vs tors. theta energy: -85.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -928.347357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.347357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.347357 (E_RNA)
where:
Base-Base interactions energy: -539.549
where: short stacking energy: -298.047
Base-Backbone interact. energy: -0.815
local terms energy: -387.982672
where:
bonds (distance) C4'-P energy: -83.782
bonds (distance) P-C4' energy: -94.707
flat angles C4'-P-C4' energy: -101.521
flat angles P-C4'-P energy: -40.908
tors. eta vs tors. theta energy: -67.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -790.469730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.469730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.469730 (E_RNA)
where:
Base-Base interactions energy: -425.604
where: short stacking energy: -259.727
Base-Backbone interact. energy: -2.779
local terms energy: -362.086867
where:
bonds (distance) C4'-P energy: -75.412
bonds (distance) P-C4' energy: -75.517
flat angles C4'-P-C4' energy: -95.103
flat angles P-C4'-P energy: -56.104
tors. eta vs tors. theta energy: -59.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -710.544027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.544027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.544027 (E_RNA)
where:
Base-Base interactions energy: -372.054
where: short stacking energy: -195.005
Base-Backbone interact. energy: 1.339
local terms energy: -339.829455
where:
bonds (distance) C4'-P energy: -86.757
bonds (distance) P-C4' energy: -95.841
flat angles C4'-P-C4' energy: -95.341
flat angles P-C4'-P energy: -51.407
tors. eta vs tors. theta energy: -10.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -610.897082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.897082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.897082 (E_RNA)
where:
Base-Base interactions energy: -272.004
where: short stacking energy: -193.586
Base-Backbone interact. energy: 3.569
local terms energy: -342.462081
where:
bonds (distance) C4'-P energy: -83.602
bonds (distance) P-C4' energy: -93.844
flat angles C4'-P-C4' energy: -73.422
flat angles P-C4'-P energy: -61.415
tors. eta vs tors. theta energy: -30.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -429.726157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.726157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.726157 (E_RNA)
where:
Base-Base interactions energy: -162.667
where: short stacking energy: -134.519
Base-Backbone interact. energy: 0.208
local terms energy: -267.267656
where:
bonds (distance) C4'-P energy: -85.665
bonds (distance) P-C4' energy: -87.243
flat angles C4'-P-C4' energy: -63.728
flat angles P-C4'-P energy: -40.562
tors. eta vs tors. theta energy: 9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -478.399329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.399329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.399329 (E_RNA)
where:
Base-Base interactions energy: -202.264
where: short stacking energy: -130.917
Base-Backbone interact. energy: 3.209
local terms energy: -279.344369
where:
bonds (distance) C4'-P energy: -81.901
bonds (distance) P-C4' energy: -87.839
flat angles C4'-P-C4' energy: -72.961
flat angles P-C4'-P energy: -44.974
tors. eta vs tors. theta energy: 8.331
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: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1423.707616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.707616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.707616 (E_RNA)
where:
Base-Base interactions energy: -934.180
where: short stacking energy: -430.902
Base-Backbone interact. energy: -0.145
local terms energy: -489.382936
where:
bonds (distance) C4'-P energy: -82.048
bonds (distance) P-C4' energy: -104.747
flat angles C4'-P-C4' energy: -110.896
flat angles P-C4'-P energy: -68.456
tors. eta vs tors. theta energy: -123.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1328.279932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.279932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.279932 (E_RNA)
where:
Base-Base interactions energy: -835.790
where: short stacking energy: -429.594
Base-Backbone interact. energy: -2.522
local terms energy: -489.968390
where:
bonds (distance) C4'-P energy: -98.199
bonds (distance) P-C4' energy: -93.225
flat angles C4'-P-C4' energy: -107.883
flat angles P-C4'-P energy: -76.345
tors. eta vs tors. theta energy: -114.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1170.557349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.557349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.557349 (E_RNA)
where:
Base-Base interactions energy: -711.083
where: short stacking energy: -359.668
Base-Backbone interact. energy: -0.703
local terms energy: -458.771325
where:
bonds (distance) C4'-P energy: -96.315
bonds (distance) P-C4' energy: -106.831
flat angles C4'-P-C4' energy: -109.515
flat angles P-C4'-P energy: -55.584
tors. eta vs tors. theta energy: -90.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1025.963588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.963588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.963588 (E_RNA)
where:
Base-Base interactions energy: -573.805
where: short stacking energy: -318.868
Base-Backbone interact. energy: -0.627
local terms energy: -451.531834
where:
bonds (distance) C4'-P energy: -93.384
bonds (distance) P-C4' energy: -106.759
flat angles C4'-P-C4' energy: -105.725
flat angles P-C4'-P energy: -54.178
tors. eta vs tors. theta energy: -91.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -928.901057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.901057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.901057 (E_RNA)
where:
Base-Base interactions energy: -541.401
where: short stacking energy: -298.673
Base-Backbone interact. energy: 0.025
local terms energy: -387.525617
where:
bonds (distance) C4'-P energy: -81.604
bonds (distance) P-C4' energy: -80.054
flat angles C4'-P-C4' energy: -97.681
flat angles P-C4'-P energy: -63.445
tors. eta vs tors. theta energy: -64.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -864.667183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.667183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.667183 (E_RNA)
where:
Base-Base interactions energy: -479.420
where: short stacking energy: -250.809
Base-Backbone interact. energy: -2.408
local terms energy: -382.839323
where:
bonds (distance) C4'-P energy: -87.818
bonds (distance) P-C4' energy: -89.248
flat angles C4'-P-C4' energy: -102.636
flat angles P-C4'-P energy: -64.739
tors. eta vs tors. theta energy: -38.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -728.385199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.385199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.385199 (E_RNA)
where:
Base-Base interactions energy: -394.796
where: short stacking energy: -246.743
Base-Backbone interact. energy: 4.301
local terms energy: -337.891082
where:
bonds (distance) C4'-P energy: -93.942
bonds (distance) P-C4' energy: -92.928
flat angles C4'-P-C4' energy: -80.943
flat angles P-C4'-P energy: -49.166
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -577.674267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.674267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.674267 (E_RNA)
where:
Base-Base interactions energy: -237.546
where: short stacking energy: -147.084
Base-Backbone interact. energy: -2.114
local terms energy: -338.338886
where:
bonds (distance) C4'-P energy: -89.703
bonds (distance) P-C4' energy: -84.012
flat angles C4'-P-C4' energy: -88.570
flat angles P-C4'-P energy: -61.173
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.324 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -558.020236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.020236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.020236 (E_RNA)
where:
Base-Base interactions energy: -273.001
where: short stacking energy: -147.660
Base-Backbone interact. energy: -2.619
local terms energy: -282.399573
where:
bonds (distance) C4'-P energy: -75.618
bonds (distance) P-C4' energy: -86.001
flat angles C4'-P-C4' energy: -62.612
flat angles P-C4'-P energy: -51.841
tors. eta vs tors. theta energy: -6.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -396.690066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.690066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.690066 (E_RNA)
where:
Base-Base interactions energy: -126.906
where: short stacking energy: -125.744
Base-Backbone interact. energy: 5.869
local terms energy: -275.653171
where:
bonds (distance) C4'-P energy: -81.281
bonds (distance) P-C4' energy: -80.319
flat angles C4'-P-C4' energy: -54.969
flat angles P-C4'-P energy: -60.327
tors. eta vs tors. theta energy: 1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1428.800952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.800952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.800952 (E_RNA)
where:
Base-Base interactions energy: -911.141
where: short stacking energy: -435.620
Base-Backbone interact. energy: -2.612
local terms energy: -515.048323
where:
bonds (distance) C4'-P energy: -105.525
bonds (distance) P-C4' energy: -107.852
flat angles C4'-P-C4' energy: -116.888
flat angles P-C4'-P energy: -73.767
tors. eta vs tors. theta energy: -111.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1334.037587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.037587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.037587 (E_RNA)
where:
Base-Base interactions energy: -839.509
where: short stacking energy: -403.105
Base-Backbone interact. energy: -2.063
local terms energy: -492.466059
where:
bonds (distance) C4'-P energy: -100.413
bonds (distance) P-C4' energy: -107.142
flat angles C4'-P-C4' energy: -91.517
flat angles P-C4'-P energy: -71.820
tors. eta vs tors. theta energy: -121.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1167.115569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.115569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.115569 (E_RNA)
where:
Base-Base interactions energy: -715.739
where: short stacking energy: -354.644
Base-Backbone interact. energy: 0.338
local terms energy: -451.715088
where:
bonds (distance) C4'-P energy: -81.004
bonds (distance) P-C4' energy: -103.211
flat angles C4'-P-C4' energy: -101.626
flat angles P-C4'-P energy: -69.487
tors. eta vs tors. theta energy: -96.387
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: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1056.179075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.179075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.179075 (E_RNA)
where:
Base-Base interactions energy: -610.950
where: short stacking energy: -354.034
Base-Backbone interact. energy: 0.717
local terms energy: -445.945641
where:
bonds (distance) C4'-P energy: -87.509
bonds (distance) P-C4' energy: -93.831
flat angles C4'-P-C4' energy: -103.604
flat angles P-C4'-P energy: -75.327
tors. eta vs tors. theta energy: -85.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -944.244986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.244986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.244986 (E_RNA)
where:
Base-Base interactions energy: -557.567
where: short stacking energy: -294.672
Base-Backbone interact. energy: 0.655
local terms energy: -387.332610
where:
bonds (distance) C4'-P energy: -82.908
bonds (distance) P-C4' energy: -81.577
flat angles C4'-P-C4' energy: -98.618
flat angles P-C4'-P energy: -58.921
tors. eta vs tors. theta energy: -65.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -879.739132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.739132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.739132 (E_RNA)
where:
Base-Base interactions energy: -507.098
where: short stacking energy: -281.372
Base-Backbone interact. energy: -2.417
local terms energy: -370.223796
where:
bonds (distance) C4'-P energy: -85.258
bonds (distance) P-C4' energy: -93.723
flat angles C4'-P-C4' energy: -89.062
flat angles P-C4'-P energy: -49.124
tors. eta vs tors. theta energy: -53.058
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: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -763.897245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.897245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.897245 (E_RNA)
where:
Base-Base interactions energy: -422.370
where: short stacking energy: -220.278
Base-Backbone interact. energy: 4.373
local terms energy: -345.899908
where:
bonds (distance) C4'-P energy: -83.472
bonds (distance) P-C4' energy: -88.770
flat angles C4'-P-C4' energy: -89.172
flat angles P-C4'-P energy: -59.860
tors. eta vs tors. theta energy: -24.625
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: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -627.325143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.325143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.325143 (E_RNA)
where:
Base-Base interactions energy: -303.270
where: short stacking energy: -182.820
Base-Backbone interact. energy: 2.187
local terms energy: -326.241975
where:
bonds (distance) C4'-P energy: -94.660
bonds (distance) P-C4' energy: -86.851
flat angles C4'-P-C4' energy: -78.325
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -26.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -512.429133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.429133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.429133 (E_RNA)
where:
Base-Base interactions energy: -205.636
where: short stacking energy: -128.964
Base-Backbone interact. energy: 3.841
local terms energy: -310.634449
where:
bonds (distance) C4'-P energy: -91.579
bonds (distance) P-C4' energy: -87.506
flat angles C4'-P-C4' energy: -82.740
flat angles P-C4'-P energy: -52.853
tors. eta vs tors. theta energy: 4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -412.593095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.593095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.593095 (E_RNA)
where:
Base-Base interactions energy: -143.142
where: short stacking energy: -120.080
Base-Backbone interact. energy: -1.500
local terms energy: -267.950906
where:
bonds (distance) C4'-P energy: -77.712
bonds (distance) P-C4' energy: -89.822
flat angles C4'-P-C4' energy: -59.352
flat angles P-C4'-P energy: -46.379
tors. eta vs tors. theta energy: 5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1439.713915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.713915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.713915 (E_RNA)
where:
Base-Base interactions energy: -943.236
where: short stacking energy: -473.393
Base-Backbone interact. energy: -5.010
local terms energy: -491.468548
where:
bonds (distance) C4'-P energy: -96.878
bonds (distance) P-C4' energy: -95.116
flat angles C4'-P-C4' energy: -121.487
flat angles P-C4'-P energy: -59.782
tors. eta vs tors. theta energy: -118.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1289.692753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.692753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.692753 (E_RNA)
where:
Base-Base interactions energy: -815.206
where: short stacking energy: -393.328
Base-Backbone interact. energy: -2.664
local terms energy: -471.823235
where:
bonds (distance) C4'-P energy: -97.422
bonds (distance) P-C4' energy: -98.975
flat angles C4'-P-C4' energy: -106.972
flat angles P-C4'-P energy: -63.432
tors. eta vs tors. theta energy: -105.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1170.889498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.889498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.889498 (E_RNA)
where:
Base-Base interactions energy: -695.747
where: short stacking energy: -370.015
Base-Backbone interact. energy: -2.216
local terms energy: -472.926510
where:
bonds (distance) C4'-P energy: -97.266
bonds (distance) P-C4' energy: -99.231
flat angles C4'-P-C4' energy: -99.305
flat angles P-C4'-P energy: -73.951
tors. eta vs tors. theta energy: -103.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1034.682129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.682129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.682129 (E_RNA)
where:
Base-Base interactions energy: -595.398
where: short stacking energy: -322.889
Base-Backbone interact. energy: -1.361
local terms energy: -437.923379
where:
bonds (distance) C4'-P energy: -81.426
bonds (distance) P-C4' energy: -102.569
flat angles C4'-P-C4' energy: -94.784
flat angles P-C4'-P energy: -71.721
tors. eta vs tors. theta energy: -87.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -978.611316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.611316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.611316 (E_RNA)
where:
Base-Base interactions energy: -572.446
where: short stacking energy: -301.529
Base-Backbone interact. energy: -1.428
local terms energy: -404.738301
where:
bonds (distance) C4'-P energy: -90.564
bonds (distance) P-C4' energy: -100.131
flat angles C4'-P-C4' energy: -92.775
flat angles P-C4'-P energy: -57.741
tors. eta vs tors. theta energy: -63.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -867.890440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.890440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.890440 (E_RNA)
where:
Base-Base interactions energy: -480.642
where: short stacking energy: -264.203
Base-Backbone interact. energy: -1.695
local terms energy: -385.553957
where:
bonds (distance) C4'-P energy: -91.215
bonds (distance) P-C4' energy: -91.970
flat angles C4'-P-C4' energy: -99.185
flat angles P-C4'-P energy: -48.833
tors. eta vs tors. theta energy: -54.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -837.500631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.500631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.500631 (E_RNA)
where:
Base-Base interactions energy: -500.276
where: short stacking energy: -228.113
Base-Backbone interact. energy: 0.127
local terms energy: -337.350895
where:
bonds (distance) C4'-P energy: -79.558
bonds (distance) P-C4' energy: -88.967
flat angles C4'-P-C4' energy: -88.871
flat angles P-C4'-P energy: -55.663
tors. eta vs tors. theta energy: -24.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -664.090199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.090199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.090199 (E_RNA)
where:
Base-Base interactions energy: -331.154
where: short stacking energy: -194.719
Base-Backbone interact. energy: -3.030
local terms energy: -329.906740
where:
bonds (distance) C4'-P energy: -85.705
bonds (distance) P-C4' energy: -91.079
flat angles C4'-P-C4' energy: -84.057
flat angles P-C4'-P energy: -54.591
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -450.414109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.414109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.414109 (E_RNA)
where:
Base-Base interactions energy: -166.083
where: short stacking energy: -140.143
Base-Backbone interact. energy: -1.879
local terms energy: -282.452036
where:
bonds (distance) C4'-P energy: -86.092
bonds (distance) P-C4' energy: -96.037
flat angles C4'-P-C4' energy: -67.047
flat angles P-C4'-P energy: -39.529
tors. eta vs tors. theta energy: 6.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -440.880175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.880175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.880175 (E_RNA)
where:
Base-Base interactions energy: -187.833
where: short stacking energy: -109.889
Base-Backbone interact. energy: 1.561
local terms energy: -254.608381
where:
bonds (distance) C4'-P energy: -77.283
bonds (distance) P-C4' energy: -79.280
flat angles C4'-P-C4' energy: -66.986
flat angles P-C4'-P energy: -42.860
tors. eta vs tors. theta energy: 11.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1453.254876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.254876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.254876 (E_RNA)
where:
Base-Base interactions energy: -938.292
where: short stacking energy: -440.077
Base-Backbone interact. energy: -3.272
local terms energy: -511.691119
where:
bonds (distance) C4'-P energy: -113.000
bonds (distance) P-C4' energy: -101.920
flat angles C4'-P-C4' energy: -111.320
flat angles P-C4'-P energy: -58.169
tors. eta vs tors. theta energy: -127.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1313.846663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.846663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.846663 (E_RNA)
where:
Base-Base interactions energy: -814.610
where: short stacking energy: -402.010
Base-Backbone interact. energy: -1.991
local terms energy: -497.245664
where:
bonds (distance) C4'-P energy: -103.094
bonds (distance) P-C4' energy: -107.030
flat angles C4'-P-C4' energy: -107.001
flat angles P-C4'-P energy: -73.163
tors. eta vs tors. theta energy: -106.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1155.494853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.494853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.494853 (E_RNA)
where:
Base-Base interactions energy: -726.251
where: short stacking energy: -359.121
Base-Backbone interact. energy: -1.528
local terms energy: -427.715544
where:
bonds (distance) C4'-P energy: -80.929
bonds (distance) P-C4' energy: -99.955
flat angles C4'-P-C4' energy: -105.557
flat angles P-C4'-P energy: -70.255
tors. eta vs tors. theta energy: -71.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1102.318214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.318214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.318214 (E_RNA)
where:
Base-Base interactions energy: -688.370
where: short stacking energy: -365.262
Base-Backbone interact. energy: -1.090
local terms energy: -412.857944
where:
bonds (distance) C4'-P energy: -87.802
bonds (distance) P-C4' energy: -85.163
flat angles C4'-P-C4' energy: -98.510
flat angles P-C4'-P energy: -59.171
tors. eta vs tors. theta energy: -82.212
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: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -974.082408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.082408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.082408 (E_RNA)
where:
Base-Base interactions energy: -562.981
where: short stacking energy: -289.694
Base-Backbone interact. energy: -4.359
local terms energy: -406.742137
where:
bonds (distance) C4'-P energy: -96.321
bonds (distance) P-C4' energy: -93.282
flat angles C4'-P-C4' energy: -85.711
flat angles P-C4'-P energy: -63.975
tors. eta vs tors. theta energy: -67.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -830.075971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.075971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.075971 (E_RNA)
where:
Base-Base interactions energy: -452.755
where: short stacking energy: -235.865
Base-Backbone interact. energy: 0.029
local terms energy: -377.350258
where:
bonds (distance) C4'-P energy: -91.171
bonds (distance) P-C4' energy: -97.806
flat angles C4'-P-C4' energy: -83.770
flat angles P-C4'-P energy: -56.102
tors. eta vs tors. theta energy: -48.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -881.998306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.998306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.998306 (E_RNA)
where:
Base-Base interactions energy: -515.613
where: short stacking energy: -254.826
Base-Backbone interact. energy: 0.289
local terms energy: -366.674359
where:
bonds (distance) C4'-P energy: -91.618
bonds (distance) P-C4' energy: -101.063
flat angles C4'-P-C4' energy: -88.451
flat angles P-C4'-P energy: -50.845
tors. eta vs tors. theta energy: -34.697
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: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -640.577560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.577560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.577560 (E_RNA)
where:
Base-Base interactions energy: -340.230
where: short stacking energy: -175.522
Base-Backbone interact. energy: -0.878
local terms energy: -299.469768
where:
bonds (distance) C4'-P energy: -83.543
bonds (distance) P-C4' energy: -78.219
flat angles C4'-P-C4' energy: -93.484
flat angles P-C4'-P energy: -38.260
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -460.280728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.280728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.280728 (E_RNA)
where:
Base-Base interactions energy: -180.873
where: short stacking energy: -132.986
Base-Backbone interact. energy: -0.776
local terms energy: -278.631679
where:
bonds (distance) C4'-P energy: -93.297
bonds (distance) P-C4' energy: -81.502
flat angles C4'-P-C4' energy: -67.666
flat angles P-C4'-P energy: -41.200
tors. eta vs tors. theta energy: 5.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -395.614006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.614006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.614006 (E_RNA)
where:
Base-Base interactions energy: -136.459
where: short stacking energy: -88.512
Base-Backbone interact. energy: 1.059
local terms energy: -260.214704
where:
bonds (distance) C4'-P energy: -90.771
bonds (distance) P-C4' energy: -86.922
flat angles C4'-P-C4' energy: -57.743
flat angles P-C4'-P energy: -41.144
tors. eta vs tors. theta energy: 16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1442.412048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.412048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.412048 (E_RNA)
where:
Base-Base interactions energy: -922.932
where: short stacking energy: -440.138
Base-Backbone interact. energy: -1.599
local terms energy: -517.880869
where:
bonds (distance) C4'-P energy: -102.685
bonds (distance) P-C4' energy: -113.727
flat angles C4'-P-C4' energy: -106.198
flat angles P-C4'-P energy: -68.910
tors. eta vs tors. theta energy: -126.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1344.605839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.605839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.605839 (E_RNA)
where:
Base-Base interactions energy: -849.005
where: short stacking energy: -397.430
Base-Backbone interact. energy: -3.752
local terms energy: -491.848560
where:
bonds (distance) C4'-P energy: -104.566
bonds (distance) P-C4' energy: -109.826
flat angles C4'-P-C4' energy: -101.937
flat angles P-C4'-P energy: -67.079
tors. eta vs tors. theta energy: -108.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1184.484116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.484116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.484116 (E_RNA)
where:
Base-Base interactions energy: -733.536
where: short stacking energy: -357.677
Base-Backbone interact. energy: -2.289
local terms energy: -448.658696
where:
bonds (distance) C4'-P energy: -88.786
bonds (distance) P-C4' energy: -110.179
flat angles C4'-P-C4' energy: -97.958
flat angles P-C4'-P energy: -68.137
tors. eta vs tors. theta energy: -83.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1136.448983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.448983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.448983 (E_RNA)
where:
Base-Base interactions energy: -696.737
where: short stacking energy: -340.194
Base-Backbone interact. energy: 1.573
local terms energy: -441.284590
where:
bonds (distance) C4'-P energy: -88.171
bonds (distance) P-C4' energy: -97.873
flat angles C4'-P-C4' energy: -104.025
flat angles P-C4'-P energy: -63.054
tors. eta vs tors. theta energy: -88.161
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: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -985.347309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.347309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.347309 (E_RNA)
where:
Base-Base interactions energy: -586.097
where: short stacking energy: -335.235
Base-Backbone interact. energy: -0.957
local terms energy: -398.292854
where:
bonds (distance) C4'-P energy: -85.541
bonds (distance) P-C4' energy: -92.589
flat angles C4'-P-C4' energy: -89.244
flat angles P-C4'-P energy: -46.970
tors. eta vs tors. theta energy: -83.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -855.990622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.990622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.990622 (E_RNA)
where:
Base-Base interactions energy: -490.517
where: short stacking energy: -245.185
Base-Backbone interact. energy: 3.695
local terms energy: -369.168188
where:
bonds (distance) C4'-P energy: -100.909
bonds (distance) P-C4' energy: -97.088
flat angles C4'-P-C4' energy: -76.691
flat angles P-C4'-P energy: -49.425
tors. eta vs tors. theta energy: -45.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -872.536151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.536151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.536151 (E_RNA)
where:
Base-Base interactions energy: -535.473
where: short stacking energy: -271.909
Base-Backbone interact. energy: 1.744
local terms energy: -338.807177
where:
bonds (distance) C4'-P energy: -76.430
bonds (distance) P-C4' energy: -95.056
flat angles C4'-P-C4' energy: -76.117
flat angles P-C4'-P energy: -45.716
tors. eta vs tors. theta energy: -45.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -618.339925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.339925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.339925 (E_RNA)
where:
Base-Base interactions energy: -306.947
where: short stacking energy: -153.408
Base-Backbone interact. energy: 0.958
local terms energy: -312.350683
where:
bonds (distance) C4'-P energy: -82.744
bonds (distance) P-C4' energy: -90.380
flat angles C4'-P-C4' energy: -79.490
flat angles P-C4'-P energy: -51.025
tors. eta vs tors. theta energy: -8.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -427.337067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.337067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.337067 (E_RNA)
where:
Base-Base interactions energy: -164.692
where: short stacking energy: -135.712
Base-Backbone interact. energy: -0.129
local terms energy: -262.515994
where:
bonds (distance) C4'-P energy: -75.847
bonds (distance) P-C4' energy: -87.795
flat angles C4'-P-C4' energy: -61.517
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: 4.753
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: 10, replica: 1
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -466.108260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.108260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.108260 (E_RNA)
where:
Base-Base interactions energy: -183.545
where: short stacking energy: -112.790
Base-Backbone interact. energy: 1.426
local terms energy: -283.989560
where:
bonds (distance) C4'-P energy: -77.555
bonds (distance) P-C4' energy: -92.698
flat angles C4'-P-C4' energy: -58.293
flat angles P-C4'-P energy: -58.762
tors. eta vs tors. theta energy: 3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1430.432397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.432397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.432397 (E_RNA)
where:
Base-Base interactions energy: -924.761
where: short stacking energy: -463.092
Base-Backbone interact. energy: -2.278
local terms energy: -503.393253
where:
bonds (distance) C4'-P energy: -100.724
bonds (distance) P-C4' energy: -108.289
flat angles C4'-P-C4' energy: -97.583
flat angles P-C4'-P energy: -73.336
tors. eta vs tors. theta energy: -123.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1346.116360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.116360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.116360 (E_RNA)
where:
Base-Base interactions energy: -861.255
where: short stacking energy: -423.755
Base-Backbone interact. energy: 5.417
local terms energy: -490.278362
where:
bonds (distance) C4'-P energy: -95.567
bonds (distance) P-C4' energy: -110.714
flat angles C4'-P-C4' energy: -98.836
flat angles P-C4'-P energy: -74.356
tors. eta vs tors. theta energy: -110.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1236.679556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.679556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.679556 (E_RNA)
where:
Base-Base interactions energy: -795.760
where: short stacking energy: -372.142
Base-Backbone interact. energy: -0.146
local terms energy: -440.774198
where:
bonds (distance) C4'-P energy: -97.012
bonds (distance) P-C4' energy: -106.630
flat angles C4'-P-C4' energy: -95.906
flat angles P-C4'-P energy: -55.111
tors. eta vs tors. theta energy: -86.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1135.863930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.863930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.863930 (E_RNA)
where:
Base-Base interactions energy: -678.545
where: short stacking energy: -319.049
Base-Backbone interact. energy: -3.903
local terms energy: -453.415961
where:
bonds (distance) C4'-P energy: -101.172
bonds (distance) P-C4' energy: -94.439
flat angles C4'-P-C4' energy: -102.454
flat angles P-C4'-P energy: -70.266
tors. eta vs tors. theta energy: -85.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -996.376013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.376013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.376013 (E_RNA)
where:
Base-Base interactions energy: -569.725
where: short stacking energy: -307.453
Base-Backbone interact. energy: 0.239
local terms energy: -426.890039
where:
bonds (distance) C4'-P energy: -98.118
bonds (distance) P-C4' energy: -103.895
flat angles C4'-P-C4' energy: -85.169
flat angles P-C4'-P energy: -69.467
tors. eta vs tors. theta energy: -70.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -951.776403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.776403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.776403 (E_RNA)
where:
Base-Base interactions energy: -583.455
where: short stacking energy: -281.647
Base-Backbone interact. energy: -2.198
local terms energy: -366.122641
where:
bonds (distance) C4'-P energy: -79.831
bonds (distance) P-C4' energy: -97.363
flat angles C4'-P-C4' energy: -90.169
flat angles P-C4'-P energy: -53.630
tors. eta vs tors. theta energy: -45.129
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: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -855.040464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.040464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.040464 (E_RNA)
where:
Base-Base interactions energy: -496.326
where: short stacking energy: -254.368
Base-Backbone interact. energy: -2.237
local terms energy: -356.477357
where:
bonds (distance) C4'-P energy: -85.377
bonds (distance) P-C4' energy: -94.059
flat angles C4'-P-C4' energy: -80.967
flat angles P-C4'-P energy: -49.112
tors. eta vs tors. theta energy: -46.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -697.791070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.791070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.791070 (E_RNA)
where:
Base-Base interactions energy: -387.606
where: short stacking energy: -195.337
Base-Backbone interact. energy: -2.222
local terms energy: -307.962916
where:
bonds (distance) C4'-P energy: -79.649
bonds (distance) P-C4' energy: -81.013
flat angles C4'-P-C4' energy: -97.761
flat angles P-C4'-P energy: -36.122
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -419.693535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.693535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.693535 (E_RNA)
where:
Base-Base interactions energy: -155.801
where: short stacking energy: -115.894
Base-Backbone interact. energy: -1.379
local terms energy: -262.513095
where:
bonds (distance) C4'-P energy: -68.771
bonds (distance) P-C4' energy: -97.445
flat angles C4'-P-C4' energy: -75.502
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: 18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -426.100620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.100620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.100620 (E_RNA)
where:
Base-Base interactions energy: -148.889
where: short stacking energy: -111.620
Base-Backbone interact. energy: 1.081
local terms energy: -278.292145
where:
bonds (distance) C4'-P energy: -81.072
bonds (distance) P-C4' energy: -86.685
flat angles C4'-P-C4' energy: -72.547
flat angles P-C4'-P energy: -45.268
tors. eta vs tors. theta energy: 7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1477.557760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.557760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.557760 (E_RNA)
where:
Base-Base interactions energy: -950.665
where: short stacking energy: -464.511
Base-Backbone interact. energy: -4.366
local terms energy: -522.527275
where:
bonds (distance) C4'-P energy: -103.770
bonds (distance) P-C4' energy: -102.031
flat angles C4'-P-C4' energy: -99.324
flat angles P-C4'-P energy: -73.829
tors. eta vs tors. theta energy: -143.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1367.654612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.654612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.654612 (E_RNA)
where:
Base-Base interactions energy: -867.327
where: short stacking energy: -452.171
Base-Backbone interact. energy: 1.379
local terms energy: -501.706568
where:
bonds (distance) C4'-P energy: -99.080
bonds (distance) P-C4' energy: -102.423
flat angles C4'-P-C4' energy: -108.125
flat angles P-C4'-P energy: -67.371
tors. eta vs tors. theta energy: -124.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1223.786379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.786379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.786379 (E_RNA)
where:
Base-Base interactions energy: -753.817
where: short stacking energy: -386.382
Base-Backbone interact. energy: -1.270
local terms energy: -468.699798
where:
bonds (distance) C4'-P energy: -91.205
bonds (distance) P-C4' energy: -102.057
flat angles C4'-P-C4' energy: -94.538
flat angles P-C4'-P energy: -79.585
tors. eta vs tors. theta energy: -101.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1215.907801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.907801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.907801 (E_RNA)
where:
Base-Base interactions energy: -770.853
where: short stacking energy: -372.530
Base-Backbone interact. energy: -2.307
local terms energy: -442.747955
where:
bonds (distance) C4'-P energy: -87.733
bonds (distance) P-C4' energy: -93.439
flat angles C4'-P-C4' energy: -104.582
flat angles P-C4'-P energy: -66.759
tors. eta vs tors. theta energy: -90.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -979.456727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.456727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.456727 (E_RNA)
where:
Base-Base interactions energy: -544.742
where: short stacking energy: -290.906
Base-Backbone interact. energy: -0.406
local terms energy: -434.309125
where:
bonds (distance) C4'-P energy: -96.034
bonds (distance) P-C4' energy: -106.520
flat angles C4'-P-C4' energy: -108.401
flat angles P-C4'-P energy: -59.485
tors. eta vs tors. theta energy: -63.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -975.589091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.589091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.589091 (E_RNA)
where:
Base-Base interactions energy: -592.154
where: short stacking energy: -270.219
Base-Backbone interact. energy: -0.447
local terms energy: -382.988128
where:
bonds (distance) C4'-P energy: -80.857
bonds (distance) P-C4' energy: -98.081
flat angles C4'-P-C4' energy: -85.913
flat angles P-C4'-P energy: -68.396
tors. eta vs tors. theta energy: -49.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -810.998296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.998296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.998296 (E_RNA)
where:
Base-Base interactions energy: -495.514
where: short stacking energy: -246.656
Base-Backbone interact. energy: -1.374
local terms energy: -314.109865
where:
bonds (distance) C4'-P energy: -66.566
bonds (distance) P-C4' energy: -85.230
flat angles C4'-P-C4' energy: -67.090
flat angles P-C4'-P energy: -49.760
tors. eta vs tors. theta energy: -45.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -694.872192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.872192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.872192 (E_RNA)
where:
Base-Base interactions energy: -367.900
where: short stacking energy: -183.780
Base-Backbone interact. energy: -0.701
local terms energy: -326.270678
where:
bonds (distance) C4'-P energy: -83.100
bonds (distance) P-C4' energy: -95.265
flat angles C4'-P-C4' energy: -84.324
flat angles P-C4'-P energy: -53.478
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -526.571890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.571890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.571890 (E_RNA)
where:
Base-Base interactions energy: -225.299
where: short stacking energy: -155.555
Base-Backbone interact. energy: 2.394
local terms energy: -303.666421
where:
bonds (distance) C4'-P energy: -89.191
bonds (distance) P-C4' energy: -85.195
flat angles C4'-P-C4' energy: -67.554
flat angles P-C4'-P energy: -47.130
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -452.669810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.669810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.669810 (E_RNA)
where:
Base-Base interactions energy: -190.395
where: short stacking energy: -115.336
Base-Backbone interact. energy: -3.171
local terms energy: -259.103799
where:
bonds (distance) C4'-P energy: -76.996
bonds (distance) P-C4' energy: -80.296
flat angles C4'-P-C4' energy: -79.677
flat angles P-C4'-P energy: -57.020
tors. eta vs tors. theta energy: 34.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1492.677787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.677787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.677787 (E_RNA)
where:
Base-Base interactions energy: -963.625
where: short stacking energy: -453.978
Base-Backbone interact. energy: -5.017
local terms energy: -524.035816
where:
bonds (distance) C4'-P energy: -102.293
bonds (distance) P-C4' energy: -102.423
flat angles C4'-P-C4' energy: -109.544
flat angles P-C4'-P energy: -74.531
tors. eta vs tors. theta energy: -135.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1393.766929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.766929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.766929 (E_RNA)
where:
Base-Base interactions energy: -885.210
where: short stacking energy: -436.742
Base-Backbone interact. energy: -0.655
local terms energy: -507.902909
where:
bonds (distance) C4'-P energy: -104.465
bonds (distance) P-C4' energy: -100.619
flat angles C4'-P-C4' energy: -112.322
flat angles P-C4'-P energy: -70.180
tors. eta vs tors. theta energy: -120.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1218.983651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.983651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.983651 (E_RNA)
where:
Base-Base interactions energy: -753.961
where: short stacking energy: -409.535
Base-Backbone interact. energy: 0.929
local terms energy: -465.951581
where:
bonds (distance) C4'-P energy: -87.971
bonds (distance) P-C4' energy: -101.854
flat angles C4'-P-C4' energy: -102.111
flat angles P-C4'-P energy: -68.438
tors. eta vs tors. theta energy: -105.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1245.173808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.173808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.173808 (E_RNA)
where:
Base-Base interactions energy: -822.984
where: short stacking energy: -378.168
Base-Backbone interact. energy: -1.297
local terms energy: -420.893068
where:
bonds (distance) C4'-P energy: -75.665
bonds (distance) P-C4' energy: -97.156
flat angles C4'-P-C4' energy: -97.675
flat angles P-C4'-P energy: -56.226
tors. eta vs tors. theta energy: -94.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -949.274216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.274216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.274216 (E_RNA)
where:
Base-Base interactions energy: -548.135
where: short stacking energy: -288.188
Base-Backbone interact. energy: 2.358
local terms energy: -403.497737
where:
bonds (distance) C4'-P energy: -92.341
bonds (distance) P-C4' energy: -96.854
flat angles C4'-P-C4' energy: -88.726
flat angles P-C4'-P energy: -68.113
tors. eta vs tors. theta energy: -57.464
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: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1053.525005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.525005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.525005 (E_RNA)
where:
Base-Base interactions energy: -633.807
where: short stacking energy: -298.693
Base-Backbone interact. energy: -0.771
local terms energy: -418.947548
where:
bonds (distance) C4'-P energy: -81.687
bonds (distance) P-C4' energy: -100.522
flat angles C4'-P-C4' energy: -99.356
flat angles P-C4'-P energy: -66.816
tors. eta vs tors. theta energy: -70.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -811.873534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.873534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.873534 (E_RNA)
where:
Base-Base interactions energy: -436.932
where: short stacking energy: -230.417
Base-Backbone interact. energy: -1.303
local terms energy: -373.638523
where:
bonds (distance) C4'-P energy: -100.881
bonds (distance) P-C4' energy: -69.481
flat angles C4'-P-C4' energy: -90.626
flat angles P-C4'-P energy: -72.470
tors. eta vs tors. theta energy: -40.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -743.044637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.044637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.044637 (E_RNA)
where:
Base-Base interactions energy: -450.611
where: short stacking energy: -235.420
Base-Backbone interact. energy: 3.760
local terms energy: -296.193773
where:
bonds (distance) C4'-P energy: -69.593
bonds (distance) P-C4' energy: -89.467
flat angles C4'-P-C4' energy: -69.273
flat angles P-C4'-P energy: -34.638
tors. eta vs tors. theta energy: -33.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -606.365660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.365660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.365660 (E_RNA)
where:
Base-Base interactions energy: -329.406
where: short stacking energy: -197.134
Base-Backbone interact. energy: 0.524
local terms energy: -277.483484
where:
bonds (distance) C4'-P energy: -76.689
bonds (distance) P-C4' energy: -70.969
flat angles C4'-P-C4' energy: -71.565
flat angles P-C4'-P energy: -49.091
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -453.656769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.656769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.656769 (E_RNA)
where:
Base-Base interactions energy: -172.344
where: short stacking energy: -113.068
Base-Backbone interact. energy: 3.794
local terms energy: -285.106554
where:
bonds (distance) C4'-P energy: -90.223
bonds (distance) P-C4' energy: -83.540
flat angles C4'-P-C4' energy: -78.800
flat angles P-C4'-P energy: -55.554
tors. eta vs tors. theta energy: 23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1499.193890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.193890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.193890 (E_RNA)
where:
Base-Base interactions energy: -966.576
where: short stacking energy: -454.895
Base-Backbone interact. energy: -2.727
local terms energy: -529.890851
where:
bonds (distance) C4'-P energy: -109.366
bonds (distance) P-C4' energy: -101.569
flat angles C4'-P-C4' energy: -122.124
flat angles P-C4'-P energy: -75.504
tors. eta vs tors. theta energy: -121.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1381.761472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.761472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.761472 (E_RNA)
where:
Base-Base interactions energy: -874.164
where: short stacking energy: -422.767
Base-Backbone interact. energy: -4.058
local terms energy: -503.539526
where:
bonds (distance) C4'-P energy: -105.662
bonds (distance) P-C4' energy: -113.459
flat angles C4'-P-C4' energy: -101.548
flat angles P-C4'-P energy: -61.233
tors. eta vs tors. theta energy: -121.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1340.953753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.953753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.953753 (E_RNA)
where:
Base-Base interactions energy: -859.230
where: short stacking energy: -403.496
Base-Backbone interact. energy: -0.231
local terms energy: -481.492779
where:
bonds (distance) C4'-P energy: -91.280
bonds (distance) P-C4' energy: -105.004
flat angles C4'-P-C4' energy: -111.767
flat angles P-C4'-P energy: -62.368
tors. eta vs tors. theta energy: -111.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1173.384292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.384292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.384292 (E_RNA)
where:
Base-Base interactions energy: -717.744
where: short stacking energy: -359.750
Base-Backbone interact. energy: -0.419
local terms energy: -455.221786
where:
bonds (distance) C4'-P energy: -98.448
bonds (distance) P-C4' energy: -93.881
flat angles C4'-P-C4' energy: -108.958
flat angles P-C4'-P energy: -72.727
tors. eta vs tors. theta energy: -81.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1069.938432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.938432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.938432 (E_RNA)
where:
Base-Base interactions energy: -638.494
where: short stacking energy: -319.830
Base-Backbone interact. energy: 0.057
local terms energy: -431.501203
where:
bonds (distance) C4'-P energy: -96.151
bonds (distance) P-C4' energy: -102.142
flat angles C4'-P-C4' energy: -103.986
flat angles P-C4'-P energy: -54.979
tors. eta vs tors. theta energy: -74.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -879.284688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.284688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.284688 (E_RNA)
where:
Base-Base interactions energy: -494.259
where: short stacking energy: -271.217
Base-Backbone interact. energy: -0.181
local terms energy: -385.789835
where:
bonds (distance) C4'-P energy: -96.765
bonds (distance) P-C4' energy: -90.770
flat angles C4'-P-C4' energy: -99.640
flat angles P-C4'-P energy: -49.320
tors. eta vs tors. theta energy: -49.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.945 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -800.646327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.646327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.646327 (E_RNA)
where:
Base-Base interactions energy: -457.893
where: short stacking energy: -214.349
Base-Backbone interact. energy: -2.050
local terms energy: -340.703780
where:
bonds (distance) C4'-P energy: -84.106
bonds (distance) P-C4' energy: -92.129
flat angles C4'-P-C4' energy: -95.944
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -768.517212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.517212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.517212 (E_RNA)
where:
Base-Base interactions energy: -430.104
where: short stacking energy: -220.574
Base-Backbone interact. energy: -0.290
local terms energy: -338.122968
where:
bonds (distance) C4'-P energy: -96.753
bonds (distance) P-C4' energy: -97.323
flat angles C4'-P-C4' energy: -75.989
flat angles P-C4'-P energy: -34.931
tors. eta vs tors. theta energy: -33.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -578.908391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.908391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.908391 (E_RNA)
where:
Base-Base interactions energy: -281.266
where: short stacking energy: -171.875
Base-Backbone interact. energy: 0.175
local terms energy: -297.817111
where:
bonds (distance) C4'-P energy: -84.983
bonds (distance) P-C4' energy: -90.364
flat angles C4'-P-C4' energy: -74.478
flat angles P-C4'-P energy: -47.721
tors. eta vs tors. theta energy: -0.272
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: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -447.789720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.789720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.789720 (E_RNA)
where:
Base-Base interactions energy: -193.742
where: short stacking energy: -136.070
Base-Backbone interact. energy: 0.314
local terms energy: -254.360847
where:
bonds (distance) C4'-P energy: -66.444
bonds (distance) P-C4' energy: -89.906
flat angles C4'-P-C4' energy: -66.188
flat angles P-C4'-P energy: -34.231
tors. eta vs tors. theta energy: 2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1480.136454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.136454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.136454 (E_RNA)
where:
Base-Base interactions energy: -976.021
where: short stacking energy: -446.930
Base-Backbone interact. energy: -2.696
local terms energy: -501.419197
where:
bonds (distance) C4'-P energy: -85.898
bonds (distance) P-C4' energy: -102.816
flat angles C4'-P-C4' energy: -116.938
flat angles P-C4'-P energy: -75.509
tors. eta vs tors. theta energy: -120.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1393.530039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.530039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.530039 (E_RNA)
where:
Base-Base interactions energy: -894.105
where: short stacking energy: -421.571
Base-Backbone interact. energy: 2.701
local terms energy: -502.126324
where:
bonds (distance) C4'-P energy: -101.394
bonds (distance) P-C4' energy: -106.992
flat angles C4'-P-C4' energy: -116.127
flat angles P-C4'-P energy: -59.795
tors. eta vs tors. theta energy: -117.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1351.543083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.543083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.543083 (E_RNA)
where:
Base-Base interactions energy: -903.126
where: short stacking energy: -407.198
Base-Backbone interact. energy: -2.346
local terms energy: -446.071073
where:
bonds (distance) C4'-P energy: -88.246
bonds (distance) P-C4' energy: -80.126
flat angles C4'-P-C4' energy: -104.584
flat angles P-C4'-P energy: -71.091
tors. eta vs tors. theta energy: -102.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1186.266933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.266933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.266933 (E_RNA)
where:
Base-Base interactions energy: -737.761
where: short stacking energy: -373.009
Base-Backbone interact. energy: -2.373
local terms energy: -446.132634
where:
bonds (distance) C4'-P energy: -100.213
bonds (distance) P-C4' energy: -88.524
flat angles C4'-P-C4' energy: -100.792
flat angles P-C4'-P energy: -58.851
tors. eta vs tors. theta energy: -97.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1125.258010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.258010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.258010 (E_RNA)
where:
Base-Base interactions energy: -703.132
where: short stacking energy: -336.742
Base-Backbone interact. energy: 2.512
local terms energy: -424.637852
where:
bonds (distance) C4'-P energy: -94.008
bonds (distance) P-C4' energy: -93.405
flat angles C4'-P-C4' energy: -86.827
flat angles P-C4'-P energy: -68.857
tors. eta vs tors. theta energy: -81.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -897.780495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.780495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.780495 (E_RNA)
where:
Base-Base interactions energy: -525.488
where: short stacking energy: -282.716
Base-Backbone interact. energy: 1.577
local terms energy: -373.869302
where:
bonds (distance) C4'-P energy: -92.186
bonds (distance) P-C4' energy: -95.603
flat angles C4'-P-C4' energy: -79.598
flat angles P-C4'-P energy: -51.494
tors. eta vs tors. theta energy: -54.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -777.464490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.464490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.464490 (E_RNA)
where:
Base-Base interactions energy: -452.009
where: short stacking energy: -209.978
Base-Backbone interact. energy: 3.156
local terms energy: -328.611614
where:
bonds (distance) C4'-P energy: -88.977
bonds (distance) P-C4' energy: -81.015
flat angles C4'-P-C4' energy: -75.187
flat angles P-C4'-P energy: -60.807
tors. eta vs tors. theta energy: -22.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -807.343048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.343048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.343048 (E_RNA)
where:
Base-Base interactions energy: -484.096
where: short stacking energy: -250.494
Base-Backbone interact. energy: -4.099
local terms energy: -319.147580
where:
bonds (distance) C4'-P energy: -77.517
bonds (distance) P-C4' energy: -76.650
flat angles C4'-P-C4' energy: -73.762
flat angles P-C4'-P energy: -39.571
tors. eta vs tors. theta energy: -51.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -528.446790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.446790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.446790 (E_RNA)
where:
Base-Base interactions energy: -234.150
where: short stacking energy: -171.179
Base-Backbone interact. energy: -2.106
local terms energy: -292.190561
where:
bonds (distance) C4'-P energy: -87.843
bonds (distance) P-C4' energy: -88.592
flat angles C4'-P-C4' energy: -74.300
flat angles P-C4'-P energy: -40.018
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -501.676505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.676505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.676505 (E_RNA)
where:
Base-Base interactions energy: -225.670
where: short stacking energy: -128.490
Base-Backbone interact. energy: 1.578
local terms energy: -277.584129
where:
bonds (distance) C4'-P energy: -89.171
bonds (distance) P-C4' energy: -84.445
flat angles C4'-P-C4' energy: -54.772
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: 0.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1487.680659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.680659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.680659 (E_RNA)
where:
Base-Base interactions energy: -977.828
where: short stacking energy: -455.340
Base-Backbone interact. energy: -3.859
local terms energy: -505.993718
where:
bonds (distance) C4'-P energy: -92.759
bonds (distance) P-C4' energy: -106.182
flat angles C4'-P-C4' energy: -107.732
flat angles P-C4'-P energy: -72.252
tors. eta vs tors. theta energy: -127.069
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: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1422.514222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.514222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.514222 (E_RNA)
where:
Base-Base interactions energy: -915.105
where: short stacking energy: -445.964
Base-Backbone interact. energy: -1.662
local terms energy: -505.746498
where:
bonds (distance) C4'-P energy: -91.776
bonds (distance) P-C4' energy: -103.944
flat angles C4'-P-C4' energy: -104.425
flat angles P-C4'-P energy: -76.152
tors. eta vs tors. theta energy: -129.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1377.093680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.093680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.093680 (E_RNA)
where:
Base-Base interactions energy: -901.266
where: short stacking energy: -414.382
Base-Backbone interact. energy: -2.565
local terms energy: -473.263327
where:
bonds (distance) C4'-P energy: -82.996
bonds (distance) P-C4' energy: -95.867
flat angles C4'-P-C4' energy: -112.881
flat angles P-C4'-P energy: -69.455
tors. eta vs tors. theta energy: -112.064
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: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1181.836271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.836271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.836271 (E_RNA)
where:
Base-Base interactions energy: -714.435
where: short stacking energy: -365.589
Base-Backbone interact. energy: 0.664
local terms energy: -468.065734
where:
bonds (distance) C4'-P energy: -86.539
bonds (distance) P-C4' energy: -98.384
flat angles C4'-P-C4' energy: -99.046
flat angles P-C4'-P energy: -78.330
tors. eta vs tors. theta energy: -105.768
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: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1196.643713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.643713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.643713 (E_RNA)
where:
Base-Base interactions energy: -757.890
where: short stacking energy: -359.874
Base-Backbone interact. energy: -0.989
local terms energy: -437.765121
where:
bonds (distance) C4'-P energy: -100.064
bonds (distance) P-C4' energy: -101.235
flat angles C4'-P-C4' energy: -100.248
flat angles P-C4'-P energy: -62.256
tors. eta vs tors. theta energy: -73.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -901.994136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.994136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.994136 (E_RNA)
where:
Base-Base interactions energy: -505.918
where: short stacking energy: -288.518
Base-Backbone interact. energy: 0.024
local terms energy: -396.099721
where:
bonds (distance) C4'-P energy: -86.450
bonds (distance) P-C4' energy: -95.596
flat angles C4'-P-C4' energy: -90.917
flat angles P-C4'-P energy: -55.408
tors. eta vs tors. theta energy: -67.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -816.530991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.530991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.530991 (E_RNA)
where:
Base-Base interactions energy: -460.508
where: short stacking energy: -226.942
Base-Backbone interact. energy: 1.527
local terms energy: -357.550084
where:
bonds (distance) C4'-P energy: -89.476
bonds (distance) P-C4' energy: -76.950
flat angles C4'-P-C4' energy: -87.299
flat angles P-C4'-P energy: -63.479
tors. eta vs tors. theta energy: -40.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -790.585633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.585633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.585633 (E_RNA)
where:
Base-Base interactions energy: -471.337
where: short stacking energy: -242.771
Base-Backbone interact. energy: -1.108
local terms energy: -318.140741
where:
bonds (distance) C4'-P energy: -69.030
bonds (distance) P-C4' energy: -83.712
flat angles C4'-P-C4' energy: -77.751
flat angles P-C4'-P energy: -45.408
tors. eta vs tors. theta energy: -42.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -556.482057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.482057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.482057 (E_RNA)
where:
Base-Base interactions energy: -263.558
where: short stacking energy: -151.893
Base-Backbone interact. energy: -0.356
local terms energy: -292.567761
where:
bonds (distance) C4'-P energy: -71.199
bonds (distance) P-C4' energy: -85.833
flat angles C4'-P-C4' energy: -64.269
flat angles P-C4'-P energy: -60.820
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -516.717745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.717745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.717745 (E_RNA)
where:
Base-Base interactions energy: -235.199
where: short stacking energy: -138.095
Base-Backbone interact. energy: 0.492
local terms energy: -282.010713
where:
bonds (distance) C4'-P energy: -77.300
bonds (distance) P-C4' energy: -86.192
flat angles C4'-P-C4' energy: -71.793
flat angles P-C4'-P energy: -43.067
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1505.286300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.286300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.286300 (E_RNA)
where:
Base-Base interactions energy: -972.830
where: short stacking energy: -452.685
Base-Backbone interact. energy: -2.811
local terms energy: -529.645571
where:
bonds (distance) C4'-P energy: -101.110
bonds (distance) P-C4' energy: -110.115
flat angles C4'-P-C4' energy: -121.333
flat angles P-C4'-P energy: -68.892
tors. eta vs tors. theta energy: -128.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1402.168383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.168383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.168383 (E_RNA)
where:
Base-Base interactions energy: -911.964
where: short stacking energy: -435.699
Base-Backbone interact. energy: 1.982
local terms energy: -492.186131
where:
bonds (distance) C4'-P energy: -103.075
bonds (distance) P-C4' energy: -99.838
flat angles C4'-P-C4' energy: -105.071
flat angles P-C4'-P energy: -74.154
tors. eta vs tors. theta energy: -110.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1351.588066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.588066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.588066 (E_RNA)
where:
Base-Base interactions energy: -879.071
where: short stacking energy: -415.648
Base-Backbone interact. energy: -2.764
local terms energy: -469.752692
where:
bonds (distance) C4'-P energy: -87.739
bonds (distance) P-C4' energy: -100.116
flat angles C4'-P-C4' energy: -105.938
flat angles P-C4'-P energy: -64.212
tors. eta vs tors. theta energy: -111.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1217.653859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.653859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.653859 (E_RNA)
where:
Base-Base interactions energy: -758.524
where: short stacking energy: -394.594
Base-Backbone interact. energy: -2.170
local terms energy: -456.960221
where:
bonds (distance) C4'-P energy: -96.851
bonds (distance) P-C4' energy: -95.156
flat angles C4'-P-C4' energy: -102.525
flat angles P-C4'-P energy: -52.826
tors. eta vs tors. theta energy: -109.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1254.071517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.071517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.071517 (E_RNA)
where:
Base-Base interactions energy: -820.178
where: short stacking energy: -406.235
Base-Backbone interact. energy: -1.215
local terms energy: -432.678314
where:
bonds (distance) C4'-P energy: -90.198
bonds (distance) P-C4' energy: -86.127
flat angles C4'-P-C4' energy: -99.647
flat angles P-C4'-P energy: -53.866
tors. eta vs tors. theta energy: -102.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -826.787886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.787886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.787886 (E_RNA)
where:
Base-Base interactions energy: -446.890
where: short stacking energy: -236.052
Base-Backbone interact. energy: 1.899
local terms energy: -381.797451
where:
bonds (distance) C4'-P energy: -89.145
bonds (distance) P-C4' energy: -108.192
flat angles C4'-P-C4' energy: -89.348
flat angles P-C4'-P energy: -57.051
tors. eta vs tors. theta energy: -38.061
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: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -831.127062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.127062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.127062 (E_RNA)
where:
Base-Base interactions energy: -469.316
where: short stacking energy: -250.363
Base-Backbone interact. energy: 1.338
local terms energy: -363.148551
where:
bonds (distance) C4'-P energy: -87.681
bonds (distance) P-C4' energy: -82.995
flat angles C4'-P-C4' energy: -85.105
flat angles P-C4'-P energy: -56.218
tors. eta vs tors. theta energy: -51.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -786.904114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.904114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.904114 (E_RNA)
where:
Base-Base interactions energy: -444.010
where: short stacking energy: -238.784
Base-Backbone interact. energy: 3.517
local terms energy: -346.410371
where:
bonds (distance) C4'-P energy: -80.202
bonds (distance) P-C4' energy: -94.299
flat angles C4'-P-C4' energy: -85.414
flat angles P-C4'-P energy: -55.413
tors. eta vs tors. theta energy: -31.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -570.565816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.565816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.565816 (E_RNA)
where:
Base-Base interactions energy: -265.625
where: short stacking energy: -165.907
Base-Backbone interact. energy: 0.972
local terms energy: -305.912772
where:
bonds (distance) C4'-P energy: -93.872
bonds (distance) P-C4' energy: -85.113
flat angles C4'-P-C4' energy: -70.491
flat angles P-C4'-P energy: -44.967
tors. eta vs tors. theta energy: -11.470
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: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -478.778609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.778609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.778609 (E_RNA)
where:
Base-Base interactions energy: -207.240
where: short stacking energy: -113.330
Base-Backbone interact. energy: 2.207
local terms energy: -273.745042
where:
bonds (distance) C4'-P energy: -85.011
bonds (distance) P-C4' energy: -88.730
flat angles C4'-P-C4' energy: -67.141
flat angles P-C4'-P energy: -38.501
tors. eta vs tors. theta energy: 5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1535.767683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.767683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.767683 (E_RNA)
where:
Base-Base interactions energy: -996.377
where: short stacking energy: -474.521
Base-Backbone interact. energy: -2.328
local terms energy: -537.063166
where:
bonds (distance) C4'-P energy: -96.258
bonds (distance) P-C4' energy: -105.485
flat angles C4'-P-C4' energy: -115.548
flat angles P-C4'-P energy: -76.576
tors. eta vs tors. theta energy: -143.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1417.078474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.078474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.078474 (E_RNA)
where:
Base-Base interactions energy: -910.819
where: short stacking energy: -411.749
Base-Backbone interact. energy: -0.369
local terms energy: -505.889687
where:
bonds (distance) C4'-P energy: -114.035
bonds (distance) P-C4' energy: -94.303
flat angles C4'-P-C4' energy: -103.005
flat angles P-C4'-P energy: -74.541
tors. eta vs tors. theta energy: -120.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1362.266495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.266495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.266495 (E_RNA)
where:
Base-Base interactions energy: -874.628
where: short stacking energy: -413.133
Base-Backbone interact. energy: 0.160
local terms energy: -487.798131
where:
bonds (distance) C4'-P energy: -97.605
bonds (distance) P-C4' energy: -99.463
flat angles C4'-P-C4' energy: -105.282
flat angles P-C4'-P energy: -83.426
tors. eta vs tors. theta energy: -102.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1209.171884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.171884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.171884 (E_RNA)
where:
Base-Base interactions energy: -749.084
where: short stacking energy: -398.269
Base-Backbone interact. energy: -0.310
local terms energy: -459.778079
where:
bonds (distance) C4'-P energy: -92.447
bonds (distance) P-C4' energy: -95.082
flat angles C4'-P-C4' energy: -95.822
flat angles P-C4'-P energy: -67.112
tors. eta vs tors. theta energy: -109.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1219.441950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.441950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.441950 (E_RNA)
where:
Base-Base interactions energy: -774.547
where: short stacking energy: -370.016
Base-Backbone interact. energy: 2.208
local terms energy: -447.103206
where:
bonds (distance) C4'-P energy: -93.039
bonds (distance) P-C4' energy: -100.029
flat angles C4'-P-C4' energy: -100.652
flat angles P-C4'-P energy: -62.280
tors. eta vs tors. theta energy: -91.103
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: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -857.376849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.376849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.376849 (E_RNA)
where:
Base-Base interactions energy: -490.266
where: short stacking energy: -244.358
Base-Backbone interact. energy: 0.182
local terms energy: -367.292807
where:
bonds (distance) C4'-P energy: -81.782
bonds (distance) P-C4' energy: -90.758
flat angles C4'-P-C4' energy: -97.600
flat angles P-C4'-P energy: -60.345
tors. eta vs tors. theta energy: -36.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -843.083393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.083393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.083393 (E_RNA)
where:
Base-Base interactions energy: -488.757
where: short stacking energy: -247.450
Base-Backbone interact. energy: 0.537
local terms energy: -354.862830
where:
bonds (distance) C4'-P energy: -79.782
bonds (distance) P-C4' energy: -98.630
flat angles C4'-P-C4' energy: -84.972
flat angles P-C4'-P energy: -42.142
tors. eta vs tors. theta energy: -49.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -828.578955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.578955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.578955 (E_RNA)
where:
Base-Base interactions energy: -489.777
where: short stacking energy: -256.379
Base-Backbone interact. energy: -1.873
local terms energy: -336.928769
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -74.869
flat angles C4'-P-C4' energy: -83.868
flat angles P-C4'-P energy: -41.570
tors. eta vs tors. theta energy: -42.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -533.506732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.506732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.506732 (E_RNA)
where:
Base-Base interactions energy: -256.926
where: short stacking energy: -159.896
Base-Backbone interact. energy: -1.421
local terms energy: -275.158989
where:
bonds (distance) C4'-P energy: -77.498
bonds (distance) P-C4' energy: -90.788
flat angles C4'-P-C4' energy: -68.611
flat angles P-C4'-P energy: -43.609
tors. eta vs tors. theta energy: 5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -496.170317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.170317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.170317 (E_RNA)
where:
Base-Base interactions energy: -254.588
where: short stacking energy: -125.442
Base-Backbone interact. energy: 4.428
local terms energy: -246.010455
where:
bonds (distance) C4'-P energy: -89.170
bonds (distance) P-C4' energy: -86.127
flat angles C4'-P-C4' energy: -54.712
flat angles P-C4'-P energy: -29.557
tors. eta vs tors. theta energy: 13.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1509.350737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.350737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.350737 (E_RNA)
where:
Base-Base interactions energy: -986.635
where: short stacking energy: -468.486
Base-Backbone interact. energy: -2.974
local terms energy: -519.741986
where:
bonds (distance) C4'-P energy: -97.049
bonds (distance) P-C4' energy: -99.982
flat angles C4'-P-C4' energy: -114.412
flat angles P-C4'-P energy: -66.847
tors. eta vs tors. theta energy: -141.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1410.916332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.916332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.916332 (E_RNA)
where:
Base-Base interactions energy: -926.788
where: short stacking energy: -413.900
Base-Backbone interact. energy: -1.158
local terms energy: -482.969955
where:
bonds (distance) C4'-P energy: -103.563
bonds (distance) P-C4' energy: -94.995
flat angles C4'-P-C4' energy: -99.109
flat angles P-C4'-P energy: -72.392
tors. eta vs tors. theta energy: -112.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1373.806191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.806191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.806191 (E_RNA)
where:
Base-Base interactions energy: -874.917
where: short stacking energy: -399.603
Base-Backbone interact. energy: -1.199
local terms energy: -497.690024
where:
bonds (distance) C4'-P energy: -88.777
bonds (distance) P-C4' energy: -103.129
flat angles C4'-P-C4' energy: -110.343
flat angles P-C4'-P energy: -81.986
tors. eta vs tors. theta energy: -113.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1210.008668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.008668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.008668 (E_RNA)
where:
Base-Base interactions energy: -731.076
where: short stacking energy: -373.997
Base-Backbone interact. energy: -2.801
local terms energy: -476.132219
where:
bonds (distance) C4'-P energy: -100.054
bonds (distance) P-C4' energy: -93.942
flat angles C4'-P-C4' energy: -104.752
flat angles P-C4'-P energy: -66.924
tors. eta vs tors. theta energy: -110.460
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: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1139.788611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.788611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.788611 (E_RNA)
where:
Base-Base interactions energy: -723.674
where: short stacking energy: -333.839
Base-Backbone interact. energy: -0.664
local terms energy: -415.450576
where:
bonds (distance) C4'-P energy: -88.696
bonds (distance) P-C4' energy: -95.833
flat angles C4'-P-C4' energy: -102.392
flat angles P-C4'-P energy: -55.583
tors. eta vs tors. theta energy: -72.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -839.630465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.630465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.630465 (E_RNA)
where:
Base-Base interactions energy: -473.067
where: short stacking energy: -243.475
Base-Backbone interact. energy: -1.452
local terms energy: -365.111182
where:
bonds (distance) C4'-P energy: -100.306
bonds (distance) P-C4' energy: -94.084
flat angles C4'-P-C4' energy: -88.419
flat angles P-C4'-P energy: -51.064
tors. eta vs tors. theta energy: -31.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -822.919878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.919878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.919878 (E_RNA)
where:
Base-Base interactions energy: -482.751
where: short stacking energy: -257.869
Base-Backbone interact. energy: 0.690
local terms energy: -340.858915
where:
bonds (distance) C4'-P energy: -93.454
bonds (distance) P-C4' energy: -79.545
flat angles C4'-P-C4' energy: -82.173
flat angles P-C4'-P energy: -51.047
tors. eta vs tors. theta energy: -34.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -773.444165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.444165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.444165 (E_RNA)
where:
Base-Base interactions energy: -417.058
where: short stacking energy: -235.647
Base-Backbone interact. energy: -1.908
local terms energy: -354.478674
where:
bonds (distance) C4'-P energy: -86.399
bonds (distance) P-C4' energy: -98.317
flat angles C4'-P-C4' energy: -71.557
flat angles P-C4'-P energy: -56.719
tors. eta vs tors. theta energy: -41.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -546.495003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.495003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.495003 (E_RNA)
where:
Base-Base interactions energy: -217.696
where: short stacking energy: -155.746
Base-Backbone interact. energy: -0.638
local terms energy: -328.160931
where:
bonds (distance) C4'-P energy: -96.310
bonds (distance) P-C4' energy: -92.608
flat angles C4'-P-C4' energy: -92.522
flat angles P-C4'-P energy: -42.077
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -493.873731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.873731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.873731 (E_RNA)
where:
Base-Base interactions energy: -227.108
where: short stacking energy: -155.469
Base-Backbone interact. energy: -1.257
local terms energy: -265.509558
where:
bonds (distance) C4'-P energy: -77.323
bonds (distance) P-C4' energy: -89.831
flat angles C4'-P-C4' energy: -66.020
flat angles P-C4'-P energy: -29.130
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1501.002897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.002897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.002897 (E_RNA)
where:
Base-Base interactions energy: -989.207
where: short stacking energy: -462.662
Base-Backbone interact. energy: -3.043
local terms energy: -508.753394
where:
bonds (distance) C4'-P energy: -98.988
bonds (distance) P-C4' energy: -112.598
flat angles C4'-P-C4' energy: -102.622
flat angles P-C4'-P energy: -68.950
tors. eta vs tors. theta energy: -125.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1423.403571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.403571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.403571 (E_RNA)
where:
Base-Base interactions energy: -942.597
where: short stacking energy: -423.182
Base-Backbone interact. energy: 0.354
local terms energy: -481.160431
where:
bonds (distance) C4'-P energy: -105.130
bonds (distance) P-C4' energy: -93.940
flat angles C4'-P-C4' energy: -105.696
flat angles P-C4'-P energy: -71.584
tors. eta vs tors. theta energy: -104.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1406.005801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.005801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.005801 (E_RNA)
where:
Base-Base interactions energy: -939.016
where: short stacking energy: -415.837
Base-Backbone interact. energy: -0.795
local terms energy: -466.194035
where:
bonds (distance) C4'-P energy: -89.127
bonds (distance) P-C4' energy: -101.190
flat angles C4'-P-C4' energy: -103.011
flat angles P-C4'-P energy: -65.694
tors. eta vs tors. theta energy: -107.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1222.872839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.872839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.872839 (E_RNA)
where:
Base-Base interactions energy: -763.719
where: short stacking energy: -380.493
Base-Backbone interact. energy: -0.787
local terms energy: -458.367079
where:
bonds (distance) C4'-P energy: -94.014
bonds (distance) P-C4' energy: -93.763
flat angles C4'-P-C4' energy: -99.571
flat angles P-C4'-P energy: -72.576
tors. eta vs tors. theta energy: -98.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1204.549381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.549381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.549381 (E_RNA)
where:
Base-Base interactions energy: -785.862
where: short stacking energy: -355.910
Base-Backbone interact. energy: 2.305
local terms energy: -420.991732
where:
bonds (distance) C4'-P energy: -86.630
bonds (distance) P-C4' energy: -89.584
flat angles C4'-P-C4' energy: -91.590
flat angles P-C4'-P energy: -63.722
tors. eta vs tors. theta energy: -89.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -941.197344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.197344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.197344 (E_RNA)
where:
Base-Base interactions energy: -556.372
where: short stacking energy: -286.985
Base-Backbone interact. energy: -0.769
local terms energy: -384.056275
where:
bonds (distance) C4'-P energy: -98.012
bonds (distance) P-C4' energy: -77.820
flat angles C4'-P-C4' energy: -84.252
flat angles P-C4'-P energy: -62.453
tors. eta vs tors. theta energy: -61.519
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: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -828.907906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.907906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.907906 (E_RNA)
where:
Base-Base interactions energy: -468.913
where: short stacking energy: -248.047
Base-Backbone interact. energy: -2.222
local terms energy: -357.772573
where:
bonds (distance) C4'-P energy: -86.013
bonds (distance) P-C4' energy: -79.767
flat angles C4'-P-C4' energy: -94.897
flat angles P-C4'-P energy: -53.000
tors. eta vs tors. theta energy: -44.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -651.327988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.327988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.327988 (E_RNA)
where:
Base-Base interactions energy: -341.711
where: short stacking energy: -178.486
Base-Backbone interact. energy: -1.901
local terms energy: -307.716319
where:
bonds (distance) C4'-P energy: -82.052
bonds (distance) P-C4' energy: -95.483
flat angles C4'-P-C4' energy: -80.769
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -558.308843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.308843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.308843 (E_RNA)
where:
Base-Base interactions energy: -257.821
where: short stacking energy: -160.320
Base-Backbone interact. energy: 1.862
local terms energy: -302.349566
where:
bonds (distance) C4'-P energy: -82.121
bonds (distance) P-C4' energy: -81.573
flat angles C4'-P-C4' energy: -67.914
flat angles P-C4'-P energy: -61.123
tors. eta vs tors. theta energy: -9.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -488.803150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.803150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.803150 (E_RNA)
where:
Base-Base interactions energy: -227.844
where: short stacking energy: -150.324
Base-Backbone interact. energy: 7.467
local terms energy: -268.426024
where:
bonds (distance) C4'-P energy: -77.156
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -70.611
flat angles P-C4'-P energy: -52.540
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1522.490533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.490533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.490533 (E_RNA)
where:
Base-Base interactions energy: -979.440
where: short stacking energy: -474.846
Base-Backbone interact. energy: -1.631
local terms energy: -541.419223
where:
bonds (distance) C4'-P energy: -107.996
bonds (distance) P-C4' energy: -107.446
flat angles C4'-P-C4' energy: -111.973
flat angles P-C4'-P energy: -78.557
tors. eta vs tors. theta energy: -135.446
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: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1448.530474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.530474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.530474 (E_RNA)
where:
Base-Base interactions energy: -953.356
where: short stacking energy: -462.307
Base-Backbone interact. energy: -0.559
local terms energy: -494.615479
where:
bonds (distance) C4'-P energy: -91.624
bonds (distance) P-C4' energy: -96.027
flat angles C4'-P-C4' energy: -109.485
flat angles P-C4'-P energy: -62.361
tors. eta vs tors. theta energy: -135.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1416.223625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.223625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.223625 (E_RNA)
where:
Base-Base interactions energy: -930.083
where: short stacking energy: -412.337
Base-Backbone interact. energy: -1.161
local terms energy: -484.979467
where:
bonds (distance) C4'-P energy: -98.791
bonds (distance) P-C4' energy: -100.846
flat angles C4'-P-C4' energy: -102.659
flat angles P-C4'-P energy: -58.959
tors. eta vs tors. theta energy: -123.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1181.396076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.396076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.396076 (E_RNA)
where:
Base-Base interactions energy: -746.153
where: short stacking energy: -367.888
Base-Backbone interact. energy: -1.636
local terms energy: -433.606358
where:
bonds (distance) C4'-P energy: -85.213
bonds (distance) P-C4' energy: -99.180
flat angles C4'-P-C4' energy: -95.713
flat angles P-C4'-P energy: -62.342
tors. eta vs tors. theta energy: -91.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1225.306317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.306317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.306317 (E_RNA)
where:
Base-Base interactions energy: -781.494
where: short stacking energy: -345.033
Base-Backbone interact. energy: 1.523
local terms energy: -445.336152
where:
bonds (distance) C4'-P energy: -89.097
bonds (distance) P-C4' energy: -90.178
flat angles C4'-P-C4' energy: -106.021
flat angles P-C4'-P energy: -70.320
tors. eta vs tors. theta energy: -89.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -902.018009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.018009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.018009 (E_RNA)
where:
Base-Base interactions energy: -519.463
where: short stacking energy: -257.237
Base-Backbone interact. energy: -0.272
local terms energy: -382.283105
where:
bonds (distance) C4'-P energy: -93.911
bonds (distance) P-C4' energy: -102.171
flat angles C4'-P-C4' energy: -80.902
flat angles P-C4'-P energy: -63.937
tors. eta vs tors. theta energy: -41.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -814.414414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.414414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.414414 (E_RNA)
where:
Base-Base interactions energy: -471.209
where: short stacking energy: -239.722
Base-Backbone interact. energy: -1.379
local terms energy: -341.826990
where:
bonds (distance) C4'-P energy: -87.008
bonds (distance) P-C4' energy: -84.047
flat angles C4'-P-C4' energy: -92.459
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -29.868
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: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -684.692740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.692740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.692740 (E_RNA)
where:
Base-Base interactions energy: -356.655
where: short stacking energy: -221.686
Base-Backbone interact. energy: -2.825
local terms energy: -325.212698
where:
bonds (distance) C4'-P energy: -79.044
bonds (distance) P-C4' energy: -80.354
flat angles C4'-P-C4' energy: -87.155
flat angles P-C4'-P energy: -47.343
tors. eta vs tors. theta energy: -31.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -520.360921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.360921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.360921 (E_RNA)
where:
Base-Base interactions energy: -246.899
where: short stacking energy: -159.272
Base-Backbone interact. energy: -1.176
local terms energy: -272.285435
where:
bonds (distance) C4'-P energy: -70.451
bonds (distance) P-C4' energy: -89.324
flat angles C4'-P-C4' energy: -79.750
flat angles P-C4'-P energy: -27.415
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -459.794355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.794355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.794355 (E_RNA)
where:
Base-Base interactions energy: -182.842
where: short stacking energy: -136.915
Base-Backbone interact. energy: -0.514
local terms energy: -276.438863
where:
bonds (distance) C4'-P energy: -77.756
bonds (distance) P-C4' energy: -98.898
flat angles C4'-P-C4' energy: -71.616
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: 6.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1496.150957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.150957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.150957 (E_RNA)
where:
Base-Base interactions energy: -992.654
where: short stacking energy: -462.312
Base-Backbone interact. energy: -0.900
local terms energy: -502.596944
where:
bonds (distance) C4'-P energy: -102.953
bonds (distance) P-C4' energy: -107.745
flat angles C4'-P-C4' energy: -98.202
flat angles P-C4'-P energy: -64.333
tors. eta vs tors. theta energy: -129.364
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: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1478.598600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.598600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.598600 (E_RNA)
where:
Base-Base interactions energy: -947.096
where: short stacking energy: -448.011
Base-Backbone interact. energy: -2.716
local terms energy: -528.785908
where:
bonds (distance) C4'-P energy: -100.963
bonds (distance) P-C4' energy: -106.511
flat angles C4'-P-C4' energy: -116.635
flat angles P-C4'-P energy: -78.316
tors. eta vs tors. theta energy: -126.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1413.852609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.852609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.852609 (E_RNA)
where:
Base-Base interactions energy: -944.070
where: short stacking energy: -421.202
Base-Backbone interact. energy: -0.350
local terms energy: -469.433060
where:
bonds (distance) C4'-P energy: -91.937
bonds (distance) P-C4' energy: -100.729
flat angles C4'-P-C4' energy: -100.085
flat angles P-C4'-P energy: -56.235
tors. eta vs tors. theta energy: -120.448
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: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1187.943462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.943462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.943462 (E_RNA)
where:
Base-Base interactions energy: -720.558
where: short stacking energy: -350.394
Base-Backbone interact. energy: -0.290
local terms energy: -467.095646
where:
bonds (distance) C4'-P energy: -83.608
bonds (distance) P-C4' energy: -104.498
flat angles C4'-P-C4' energy: -105.983
flat angles P-C4'-P energy: -73.575
tors. eta vs tors. theta energy: -99.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1218.197780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.197780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.197780 (E_RNA)
where:
Base-Base interactions energy: -755.464
where: short stacking energy: -351.615
Base-Backbone interact. energy: -1.511
local terms energy: -461.222703
where:
bonds (distance) C4'-P energy: -98.606
bonds (distance) P-C4' energy: -107.458
flat angles C4'-P-C4' energy: -90.923
flat angles P-C4'-P energy: -69.310
tors. eta vs tors. theta energy: -94.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -870.108846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.108846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.108846 (E_RNA)
where:
Base-Base interactions energy: -484.595
where: short stacking energy: -276.725
Base-Backbone interact. energy: -0.864
local terms energy: -384.650105
where:
bonds (distance) C4'-P energy: -79.593
bonds (distance) P-C4' energy: -96.143
flat angles C4'-P-C4' energy: -95.248
flat angles P-C4'-P energy: -62.201
tors. eta vs tors. theta energy: -51.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -828.233420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.233420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.233420 (E_RNA)
where:
Base-Base interactions energy: -487.413
where: short stacking energy: -249.680
Base-Backbone interact. energy: 4.248
local terms energy: -345.068193
where:
bonds (distance) C4'-P energy: -80.495
bonds (distance) P-C4' energy: -80.834
flat angles C4'-P-C4' energy: -98.768
flat angles P-C4'-P energy: -51.333
tors. eta vs tors. theta energy: -33.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -693.742333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.742333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.742333 (E_RNA)
where:
Base-Base interactions energy: -340.986
where: short stacking energy: -209.503
Base-Backbone interact. energy: -2.906
local terms energy: -349.849950
where:
bonds (distance) C4'-P energy: -94.233
bonds (distance) P-C4' energy: -96.012
flat angles C4'-P-C4' energy: -74.703
flat angles P-C4'-P energy: -55.249
tors. eta vs tors. theta energy: -29.653
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: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -567.668515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.668515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.668515 (E_RNA)
where:
Base-Base interactions energy: -259.901
where: short stacking energy: -151.866
Base-Backbone interact. energy: 0.510
local terms energy: -308.277512
where:
bonds (distance) C4'-P energy: -76.580
bonds (distance) P-C4' energy: -88.622
flat angles C4'-P-C4' energy: -90.527
flat angles P-C4'-P energy: -44.182
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -429.487984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.487984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.487984 (E_RNA)
where:
Base-Base interactions energy: -153.810
where: short stacking energy: -104.066
Base-Backbone interact. energy: -2.433
local terms energy: -273.245163
where:
bonds (distance) C4'-P energy: -95.144
bonds (distance) P-C4' energy: -95.590
flat angles C4'-P-C4' energy: -59.328
flat angles P-C4'-P energy: -48.047
tors. eta vs tors. theta energy: 24.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1509.237698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.237698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.237698 (E_RNA)
where:
Base-Base interactions energy: -988.320
where: short stacking energy: -480.424
Base-Backbone interact. energy: -1.483
local terms energy: -519.434253
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -114.250
flat angles C4'-P-C4' energy: -108.713
flat angles P-C4'-P energy: -74.697
tors. eta vs tors. theta energy: -129.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1445.446390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.446390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.446390 (E_RNA)
where:
Base-Base interactions energy: -953.005
where: short stacking energy: -432.947
Base-Backbone interact. energy: 1.604
local terms energy: -494.044698
where:
bonds (distance) C4'-P energy: -92.002
bonds (distance) P-C4' energy: -104.194
flat angles C4'-P-C4' energy: -102.693
flat angles P-C4'-P energy: -73.623
tors. eta vs tors. theta energy: -121.533
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: 3, replica: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1415.622925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.622925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.622925 (E_RNA)
where:
Base-Base interactions energy: -922.120
where: short stacking energy: -440.734
Base-Backbone interact. energy: -1.947
local terms energy: -491.555600
where:
bonds (distance) C4'-P energy: -97.868
bonds (distance) P-C4' energy: -101.575
flat angles C4'-P-C4' energy: -102.399
flat angles P-C4'-P energy: -68.028
tors. eta vs tors. theta energy: -121.685
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: 45
Temperature: 1.050000
Total energy: -1257.399859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.399859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.399859 (E_RNA)
where:
Base-Base interactions energy: -795.071
where: short stacking energy: -400.819
Base-Backbone interact. energy: -0.772
local terms energy: -461.556880
where:
bonds (distance) C4'-P energy: -93.504
bonds (distance) P-C4' energy: -84.624
flat angles C4'-P-C4' energy: -112.431
flat angles P-C4'-P energy: -64.142
tors. eta vs tors. theta energy: -106.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1131.724552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.724552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.724552 (E_RNA)
where:
Base-Base interactions energy: -718.796
where: short stacking energy: -341.596
Base-Backbone interact. energy: 2.537
local terms energy: -415.465523
where:
bonds (distance) C4'-P energy: -82.979
bonds (distance) P-C4' energy: -104.295
flat angles C4'-P-C4' energy: -84.477
flat angles P-C4'-P energy: -50.203
tors. eta vs tors. theta energy: -93.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -854.312207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.312207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.312207 (E_RNA)
where:
Base-Base interactions energy: -468.759
where: short stacking energy: -278.499
Base-Backbone interact. energy: 0.962
local terms energy: -386.515024
where:
bonds (distance) C4'-P energy: -85.011
bonds (distance) P-C4' energy: -96.730
flat angles C4'-P-C4' energy: -88.362
flat angles P-C4'-P energy: -61.306
tors. eta vs tors. theta energy: -55.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -811.204281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.204281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.204281 (E_RNA)
where:
Base-Base interactions energy: -464.780
where: short stacking energy: -222.189
Base-Backbone interact. energy: 2.701
local terms energy: -349.125646
where:
bonds (distance) C4'-P energy: -83.843
bonds (distance) P-C4' energy: -89.333
flat angles C4'-P-C4' energy: -86.148
flat angles P-C4'-P energy: -54.086
tors. eta vs tors. theta energy: -35.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -691.462129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.462129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.462129 (E_RNA)
where:
Base-Base interactions energy: -353.267
where: short stacking energy: -199.011
Base-Backbone interact. energy: -0.818
local terms energy: -337.377376
where:
bonds (distance) C4'-P energy: -85.444
bonds (distance) P-C4' energy: -90.881
flat angles C4'-P-C4' energy: -90.893
flat angles P-C4'-P energy: -45.995
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -571.512215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.512215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.512215 (E_RNA)
where:
Base-Base interactions energy: -277.164
where: short stacking energy: -171.631
Base-Backbone interact. energy: 3.492
local terms energy: -297.840690
where:
bonds (distance) C4'-P energy: -80.749
bonds (distance) P-C4' energy: -86.341
flat angles C4'-P-C4' energy: -75.409
flat angles P-C4'-P energy: -52.632
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -386.907238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.907238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.907238 (E_RNA)
where:
Base-Base interactions energy: -123.204
where: short stacking energy: -112.409
Base-Backbone interact. energy: -3.149
local terms energy: -260.554110
where:
bonds (distance) C4'-P energy: -82.566
bonds (distance) P-C4' energy: -84.939
flat angles C4'-P-C4' energy: -58.068
flat angles P-C4'-P energy: -42.309
tors. eta vs tors. theta energy: 7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1504.300327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.300327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.300327 (E_RNA)
where:
Base-Base interactions energy: -956.316
where: short stacking energy: -472.750
Base-Backbone interact. energy: -0.989
local terms energy: -546.995402
where:
bonds (distance) C4'-P energy: -101.242
bonds (distance) P-C4' energy: -108.541
flat angles C4'-P-C4' energy: -111.563
flat angles P-C4'-P energy: -72.060
tors. eta vs tors. theta energy: -153.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1450.064478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.064478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.064478 (E_RNA)
where:
Base-Base interactions energy: -947.606
where: short stacking energy: -413.290
Base-Backbone interact. energy: -1.218
local terms energy: -501.240048
where:
bonds (distance) C4'-P energy: -94.275
bonds (distance) P-C4' energy: -104.696
flat angles C4'-P-C4' energy: -114.556
flat angles P-C4'-P energy: -76.424
tors. eta vs tors. theta energy: -111.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1438.631937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.631937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.631937 (E_RNA)
where:
Base-Base interactions energy: -916.458
where: short stacking energy: -432.791
Base-Backbone interact. energy: -2.365
local terms energy: -519.809666
where:
bonds (distance) C4'-P energy: -95.119
bonds (distance) P-C4' energy: -104.744
flat angles C4'-P-C4' energy: -120.739
flat angles P-C4'-P energy: -72.873
tors. eta vs tors. theta energy: -126.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1257.831650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.831650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.831650 (E_RNA)
where:
Base-Base interactions energy: -792.091
where: short stacking energy: -367.480
Base-Backbone interact. energy: -1.843
local terms energy: -463.898323
where:
bonds (distance) C4'-P energy: -110.171
bonds (distance) P-C4' energy: -87.462
flat angles C4'-P-C4' energy: -110.605
flat angles P-C4'-P energy: -62.103
tors. eta vs tors. theta energy: -93.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1092.052525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.052525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.052525 (E_RNA)
where:
Base-Base interactions energy: -653.902
where: short stacking energy: -342.257
Base-Backbone interact. energy: -1.186
local terms energy: -436.964418
where:
bonds (distance) C4'-P energy: -93.541
bonds (distance) P-C4' energy: -98.253
flat angles C4'-P-C4' energy: -92.352
flat angles P-C4'-P energy: -65.835
tors. eta vs tors. theta energy: -86.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -956.937540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.937540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.937540 (E_RNA)
where:
Base-Base interactions energy: -574.271
where: short stacking energy: -289.830
Base-Backbone interact. energy: -2.381
local terms energy: -380.285452
where:
bonds (distance) C4'-P energy: -83.142
bonds (distance) P-C4' energy: -88.094
flat angles C4'-P-C4' energy: -84.920
flat angles P-C4'-P energy: -64.627
tors. eta vs tors. theta energy: -59.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -854.187578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.187578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.187578 (E_RNA)
where:
Base-Base interactions energy: -519.649
where: short stacking energy: -227.596
Base-Backbone interact. energy: 0.039
local terms energy: -334.577857
where:
bonds (distance) C4'-P energy: -86.095
bonds (distance) P-C4' energy: -90.503
flat angles C4'-P-C4' energy: -73.930
flat angles P-C4'-P energy: -56.117
tors. eta vs tors. theta energy: -27.933
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: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -670.612739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.612739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.612739 (E_RNA)
where:
Base-Base interactions energy: -314.293
where: short stacking energy: -187.409
Base-Backbone interact. energy: -0.005
local terms energy: -356.314728
where:
bonds (distance) C4'-P energy: -88.301
bonds (distance) P-C4' energy: -89.858
flat angles C4'-P-C4' energy: -82.794
flat angles P-C4'-P energy: -58.939
tors. eta vs tors. theta energy: -36.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -620.395323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.395323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.395323 (E_RNA)
where:
Base-Base interactions energy: -297.848
where: short stacking energy: -171.612
Base-Backbone interact. energy: 1.308
local terms energy: -323.854846
where:
bonds (distance) C4'-P energy: -62.915
bonds (distance) P-C4' energy: -93.695
flat angles C4'-P-C4' energy: -88.168
flat angles P-C4'-P energy: -54.873
tors. eta vs tors. theta energy: -24.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -420.790940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.790940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.790940 (E_RNA)
where:
Base-Base interactions energy: -141.931
where: short stacking energy: -111.082
Base-Backbone interact. energy: -0.795
local terms energy: -278.064935
where:
bonds (distance) C4'-P energy: -74.579
bonds (distance) P-C4' energy: -98.637
flat angles C4'-P-C4' energy: -66.252
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1508.856400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.856400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.856400 (E_RNA)
where:
Base-Base interactions energy: -995.859
where: short stacking energy: -450.923
Base-Backbone interact. energy: -0.723
local terms energy: -512.273729
where:
bonds (distance) C4'-P energy: -103.674
bonds (distance) P-C4' energy: -113.420
flat angles C4'-P-C4' energy: -104.991
flat angles P-C4'-P energy: -73.230
tors. eta vs tors. theta energy: -116.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1452.322073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.322073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.322073 (E_RNA)
where:
Base-Base interactions energy: -950.825
where: short stacking energy: -436.126
Base-Backbone interact. energy: -0.835
local terms energy: -500.662353
where:
bonds (distance) C4'-P energy: -97.274
bonds (distance) P-C4' energy: -111.909
flat angles C4'-P-C4' energy: -95.568
flat angles P-C4'-P energy: -79.483
tors. eta vs tors. theta energy: -116.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1449.040014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.040014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.040014 (E_RNA)
where:
Base-Base interactions energy: -946.948
where: short stacking energy: -420.965
Base-Backbone interact. energy: 0.554
local terms energy: -502.645569
where:
bonds (distance) C4'-P energy: -92.746
bonds (distance) P-C4' energy: -95.123
flat angles C4'-P-C4' energy: -115.626
flat angles P-C4'-P energy: -76.651
tors. eta vs tors. theta energy: -122.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1224.138863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.138863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.138863 (E_RNA)
where:
Base-Base interactions energy: -782.744
where: short stacking energy: -361.655
Base-Backbone interact. energy: -0.925
local terms energy: -440.469198
where:
bonds (distance) C4'-P energy: -95.065
bonds (distance) P-C4' energy: -98.074
flat angles C4'-P-C4' energy: -97.954
flat angles P-C4'-P energy: -59.910
tors. eta vs tors. theta energy: -89.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1041.324358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.324358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.324358 (E_RNA)
where:
Base-Base interactions energy: -608.279
where: short stacking energy: -318.721
Base-Backbone interact. energy: -2.813
local terms energy: -430.231945
where:
bonds (distance) C4'-P energy: -100.532
bonds (distance) P-C4' energy: -98.678
flat angles C4'-P-C4' energy: -95.503
flat angles P-C4'-P energy: -47.236
tors. eta vs tors. theta energy: -88.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -994.970481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.970481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.970481 (E_RNA)
where:
Base-Base interactions energy: -574.583
where: short stacking energy: -288.619
Base-Backbone interact. energy: -1.198
local terms energy: -419.189221
where:
bonds (distance) C4'-P energy: -86.824
bonds (distance) P-C4' energy: -99.748
flat angles C4'-P-C4' energy: -99.206
flat angles P-C4'-P energy: -66.750
tors. eta vs tors. theta energy: -66.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -829.092302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.092302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.092302 (E_RNA)
where:
Base-Base interactions energy: -483.774
where: short stacking energy: -198.382
Base-Backbone interact. energy: 2.338
local terms energy: -347.657010
where:
bonds (distance) C4'-P energy: -86.969
bonds (distance) P-C4' energy: -100.715
flat angles C4'-P-C4' energy: -78.240
flat angles P-C4'-P energy: -57.787
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -620.565619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.565619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.565619 (E_RNA)
where:
Base-Base interactions energy: -317.888
where: short stacking energy: -163.560
Base-Backbone interact. energy: 1.296
local terms energy: -303.973895
where:
bonds (distance) C4'-P energy: -87.565
bonds (distance) P-C4' energy: -83.818
flat angles C4'-P-C4' energy: -72.993
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -501.730568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.730568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.730568 (E_RNA)
where:
Base-Base interactions energy: -215.826
where: short stacking energy: -136.247
Base-Backbone interact. energy: 2.604
local terms energy: -288.508579
where:
bonds (distance) C4'-P energy: -88.388
bonds (distance) P-C4' energy: -98.961
flat angles C4'-P-C4' energy: -59.506
flat angles P-C4'-P energy: -45.338
tors. eta vs tors. theta energy: 3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -416.437761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.437761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.437761 (E_RNA)
where:
Base-Base interactions energy: -129.490
where: short stacking energy: -123.831
Base-Backbone interact. energy: 0.137
local terms energy: -288.342765
where:
bonds (distance) C4'-P energy: -83.828
bonds (distance) P-C4' energy: -98.836
flat angles C4'-P-C4' energy: -74.936
flat angles P-C4'-P energy: -45.262
tors. eta vs tors. theta energy: 14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.257 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1518.333579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.333579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.333579 (E_RNA)
where:
Base-Base interactions energy: -987.959
where: short stacking energy: -467.854
Base-Backbone interact. energy: -3.567
local terms energy: -526.807628
where:
bonds (distance) C4'-P energy: -99.251
bonds (distance) P-C4' energy: -113.695
flat angles C4'-P-C4' energy: -117.234
flat angles P-C4'-P energy: -72.091
tors. eta vs tors. theta energy: -124.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1450.028325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.028325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.028325 (E_RNA)
where:
Base-Base interactions energy: -951.745
where: short stacking energy: -451.869
Base-Backbone interact. energy: -2.302
local terms energy: -495.982056
where:
bonds (distance) C4'-P energy: -106.006
bonds (distance) P-C4' energy: -95.334
flat angles C4'-P-C4' energy: -112.335
flat angles P-C4'-P energy: -68.960
tors. eta vs tors. theta energy: -113.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1483.214342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.214342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.214342 (E_RNA)
where:
Base-Base interactions energy: -969.302
where: short stacking energy: -421.987
Base-Backbone interact. energy: -0.494
local terms energy: -513.418089
where:
bonds (distance) C4'-P energy: -106.282
bonds (distance) P-C4' energy: -100.747
flat angles C4'-P-C4' energy: -108.957
flat angles P-C4'-P energy: -72.472
tors. eta vs tors. theta energy: -124.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1238.889793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.889793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.889793 (E_RNA)
where:
Base-Base interactions energy: -775.884
where: short stacking energy: -351.743
Base-Backbone interact. energy: -0.785
local terms energy: -462.220154
where:
bonds (distance) C4'-P energy: -93.488
bonds (distance) P-C4' energy: -99.539
flat angles C4'-P-C4' energy: -101.982
flat angles P-C4'-P energy: -77.251
tors. eta vs tors. theta energy: -89.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1048.973237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.973237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.973237 (E_RNA)
where:
Base-Base interactions energy: -643.718
where: short stacking energy: -301.545
Base-Backbone interact. energy: 0.167
local terms energy: -405.422624
where:
bonds (distance) C4'-P energy: -85.471
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -92.165
flat angles P-C4'-P energy: -62.121
tors. eta vs tors. theta energy: -71.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -985.343445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.343445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.343445 (E_RNA)
where:
Base-Base interactions energy: -564.938
where: short stacking energy: -297.037
Base-Backbone interact. energy: -2.338
local terms energy: -418.066948
where:
bonds (distance) C4'-P energy: -92.417
bonds (distance) P-C4' energy: -97.057
flat angles C4'-P-C4' energy: -100.823
flat angles P-C4'-P energy: -57.013
tors. eta vs tors. theta energy: -70.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -874.307169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.307169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.307169 (E_RNA)
where:
Base-Base interactions energy: -497.525
where: short stacking energy: -236.566
Base-Backbone interact. energy: -1.468
local terms energy: -375.313849
where:
bonds (distance) C4'-P energy: -84.875
bonds (distance) P-C4' energy: -92.842
flat angles C4'-P-C4' energy: -94.494
flat angles P-C4'-P energy: -61.368
tors. eta vs tors. theta energy: -41.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -654.406842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.406842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.406842 (E_RNA)
where:
Base-Base interactions energy: -311.508
where: short stacking energy: -178.441
Base-Backbone interact. energy: -1.697
local terms energy: -341.201374
where:
bonds (distance) C4'-P energy: -91.564
bonds (distance) P-C4' energy: -94.626
flat angles C4'-P-C4' energy: -75.243
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -27.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -425.544238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.544238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.544238 (E_RNA)
where:
Base-Base interactions energy: -144.330
where: short stacking energy: -131.522
Base-Backbone interact. energy: -0.081
local terms energy: -281.132559
where:
bonds (distance) C4'-P energy: -77.296
bonds (distance) P-C4' energy: -93.227
flat angles C4'-P-C4' energy: -76.816
flat angles P-C4'-P energy: -38.713
tors. eta vs tors. theta energy: 4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -373.412686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.412686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.412686 (E_RNA)
where:
Base-Base interactions energy: -122.900
where: short stacking energy: -110.387
Base-Backbone interact. energy: -4.817
local terms energy: -245.695042
where:
bonds (distance) C4'-P energy: -68.979
bonds (distance) P-C4' energy: -88.247
flat angles C4'-P-C4' energy: -66.713
flat angles P-C4'-P energy: -47.766
tors. eta vs tors. theta energy: 26.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1556.186912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.186912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.186912 (E_RNA)
where:
Base-Base interactions energy: -1039.933
where: short stacking energy: -464.242
Base-Backbone interact. energy: -1.041
local terms energy: -515.212327
where:
bonds (distance) C4'-P energy: -106.968
bonds (distance) P-C4' energy: -111.507
flat angles C4'-P-C4' energy: -100.291
flat angles P-C4'-P energy: -74.003
tors. eta vs tors. theta energy: -122.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1518.947107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.947107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.947107 (E_RNA)
where:
Base-Base interactions energy: -1008.923
where: short stacking energy: -443.837
Base-Backbone interact. energy: -1.516
local terms energy: -508.508380
where:
bonds (distance) C4'-P energy: -86.085
bonds (distance) P-C4' energy: -107.362
flat angles C4'-P-C4' energy: -117.711
flat angles P-C4'-P energy: -69.302
tors. eta vs tors. theta energy: -128.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1429.621169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.621169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.621169 (E_RNA)
where:
Base-Base interactions energy: -943.844
where: short stacking energy: -427.118
Base-Backbone interact. energy: -0.520
local terms energy: -485.257456
where:
bonds (distance) C4'-P energy: -88.667
bonds (distance) P-C4' energy: -86.029
flat angles C4'-P-C4' energy: -114.428
flat angles P-C4'-P energy: -71.704
tors. eta vs tors. theta energy: -124.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1267.407812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.407812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.407812 (E_RNA)
where:
Base-Base interactions energy: -839.609
where: short stacking energy: -377.725
Base-Backbone interact. energy: -0.222
local terms energy: -427.577487
where:
bonds (distance) C4'-P energy: -84.991
bonds (distance) P-C4' energy: -88.922
flat angles C4'-P-C4' energy: -93.228
flat angles P-C4'-P energy: -62.266
tors. eta vs tors. theta energy: -98.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1061.647604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.647604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.647604 (E_RNA)
where:
Base-Base interactions energy: -634.561
where: short stacking energy: -324.809
Base-Backbone interact. energy: -2.787
local terms energy: -426.267262
where:
bonds (distance) C4'-P energy: -97.987
bonds (distance) P-C4' energy: -102.655
flat angles C4'-P-C4' energy: -101.945
flat angles P-C4'-P energy: -50.555
tors. eta vs tors. theta energy: -73.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.967 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1005.608954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.608954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.608954 (E_RNA)
where:
Base-Base interactions energy: -599.790
where: short stacking energy: -322.881
Base-Backbone interact. energy: -2.416
local terms energy: -403.403289
where:
bonds (distance) C4'-P energy: -87.529
bonds (distance) P-C4' energy: -88.278
flat angles C4'-P-C4' energy: -99.551
flat angles P-C4'-P energy: -60.034
tors. eta vs tors. theta energy: -68.011
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: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -893.536013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.536013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.536013 (E_RNA)
where:
Base-Base interactions energy: -529.955
where: short stacking energy: -282.244
Base-Backbone interact. energy: -0.125
local terms energy: -363.456271
where:
bonds (distance) C4'-P energy: -86.188
bonds (distance) P-C4' energy: -87.353
flat angles C4'-P-C4' energy: -92.775
flat angles P-C4'-P energy: -57.107
tors. eta vs tors. theta energy: -40.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -627.468110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.468110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.468110 (E_RNA)
where:
Base-Base interactions energy: -306.103
where: short stacking energy: -173.135
Base-Backbone interact. energy: -1.227
local terms energy: -320.138804
where:
bonds (distance) C4'-P energy: -85.906
bonds (distance) P-C4' energy: -93.422
flat angles C4'-P-C4' energy: -85.194
flat angles P-C4'-P energy: -36.600
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -435.963793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.963793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.963793 (E_RNA)
where:
Base-Base interactions energy: -161.141
where: short stacking energy: -146.831
Base-Backbone interact. energy: 0.261
local terms energy: -275.474962
where:
bonds (distance) C4'-P energy: -89.110
bonds (distance) P-C4' energy: -89.125
flat angles C4'-P-C4' energy: -77.785
flat angles P-C4'-P energy: -24.075
tors. eta vs tors. theta energy: 4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.391 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -382.524552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.524552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.524552 (E_RNA)
where:
Base-Base interactions energy: -97.318
where: short stacking energy: -75.978
Base-Backbone interact. energy: -0.837
local terms energy: -284.369572
where:
bonds (distance) C4'-P energy: -100.283
bonds (distance) P-C4' energy: -80.181
flat angles C4'-P-C4' energy: -79.111
flat angles P-C4'-P energy: -38.783
tors. eta vs tors. theta energy: 13.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1549.644531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.644531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.644531 (E_RNA)
where:
Base-Base interactions energy: -1035.993
where: short stacking energy: -481.084
Base-Backbone interact. energy: 0.910
local terms energy: -514.561021
where:
bonds (distance) C4'-P energy: -92.030
bonds (distance) P-C4' energy: -112.452
flat angles C4'-P-C4' energy: -104.449
flat angles P-C4'-P energy: -76.519
tors. eta vs tors. theta energy: -129.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1487.549349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.549349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.549349 (E_RNA)
where:
Base-Base interactions energy: -1013.002
where: short stacking energy: -448.522
Base-Backbone interact. energy: -2.568
local terms energy: -471.978808
where:
bonds (distance) C4'-P energy: -89.867
bonds (distance) P-C4' energy: -93.718
flat angles C4'-P-C4' energy: -106.824
flat angles P-C4'-P energy: -62.987
tors. eta vs tors. theta energy: -118.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1449.764904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.764904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.764904 (E_RNA)
where:
Base-Base interactions energy: -956.306
where: short stacking energy: -422.871
Base-Backbone interact. energy: -0.170
local terms energy: -493.288911
where:
bonds (distance) C4'-P energy: -89.176
bonds (distance) P-C4' energy: -96.557
flat angles C4'-P-C4' energy: -112.195
flat angles P-C4'-P energy: -78.282
tors. eta vs tors. theta energy: -117.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1265.381527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.381527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.381527 (E_RNA)
where:
Base-Base interactions energy: -826.088
where: short stacking energy: -392.204
Base-Backbone interact. energy: -2.013
local terms energy: -437.280620
where:
bonds (distance) C4'-P energy: -84.327
bonds (distance) P-C4' energy: -97.523
flat angles C4'-P-C4' energy: -102.440
flat angles P-C4'-P energy: -61.725
tors. eta vs tors. theta energy: -91.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1045.964428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.964428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.964428 (E_RNA)
where:
Base-Base interactions energy: -641.318
where: short stacking energy: -332.213
Base-Backbone interact. energy: 0.558
local terms energy: -405.204504
where:
bonds (distance) C4'-P energy: -93.169
bonds (distance) P-C4' energy: -76.957
flat angles C4'-P-C4' energy: -92.045
flat angles P-C4'-P energy: -57.823
tors. eta vs tors. theta energy: -85.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1016.208191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.208191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.208191 (E_RNA)
where:
Base-Base interactions energy: -620.255
where: short stacking energy: -313.829
Base-Backbone interact. energy: -1.647
local terms energy: -394.305975
where:
bonds (distance) C4'-P energy: -92.325
bonds (distance) P-C4' energy: -82.041
flat angles C4'-P-C4' energy: -92.319
flat angles P-C4'-P energy: -62.907
tors. eta vs tors. theta energy: -64.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -841.786921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.786921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.786921 (E_RNA)
where:
Base-Base interactions energy: -518.575
where: short stacking energy: -242.606
Base-Backbone interact. energy: -2.844
local terms energy: -320.368329
where:
bonds (distance) C4'-P energy: -92.124
bonds (distance) P-C4' energy: -85.563
flat angles C4'-P-C4' energy: -71.527
flat angles P-C4'-P energy: -46.714
tors. eta vs tors. theta energy: -24.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -705.386151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.386151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.386151 (E_RNA)
where:
Base-Base interactions energy: -374.341
where: short stacking energy: -226.408
Base-Backbone interact. energy: -0.532
local terms energy: -330.513693
where:
bonds (distance) C4'-P energy: -80.241
bonds (distance) P-C4' energy: -87.264
flat angles C4'-P-C4' energy: -82.495
flat angles P-C4'-P energy: -54.780
tors. eta vs tors. theta energy: -25.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -430.786556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.786556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.786556 (E_RNA)
where:
Base-Base interactions energy: -190.677
where: short stacking energy: -151.527
Base-Backbone interact. energy: 1.107
local terms energy: -241.216092
where:
bonds (distance) C4'-P energy: -72.835
bonds (distance) P-C4' energy: -85.976
flat angles C4'-P-C4' energy: -50.794
flat angles P-C4'-P energy: -42.065
tors. eta vs tors. theta energy: 10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -382.206720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.206720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.206720 (E_RNA)
where:
Base-Base interactions energy: -100.914
where: short stacking energy: -81.687
Base-Backbone interact. energy: 1.121
local terms energy: -282.413695
where:
bonds (distance) C4'-P energy: -94.565
bonds (distance) P-C4' energy: -94.120
flat angles C4'-P-C4' energy: -74.818
flat angles P-C4'-P energy: -34.384
tors. eta vs tors. theta energy: 15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1568.537591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.537591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.537591 (E_RNA)
where:
Base-Base interactions energy: -1045.318
where: short stacking energy: -472.943
Base-Backbone interact. energy: -0.639
local terms energy: -522.580300
where:
bonds (distance) C4'-P energy: -83.959
bonds (distance) P-C4' energy: -106.271
flat angles C4'-P-C4' energy: -119.528
flat angles P-C4'-P energy: -69.455
tors. eta vs tors. theta energy: -143.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1493.335378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.335378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.335378 (E_RNA)
where:
Base-Base interactions energy: -1014.168
where: short stacking energy: -463.641
Base-Backbone interact. energy: -0.695
local terms energy: -478.473029
where:
bonds (distance) C4'-P energy: -84.306
bonds (distance) P-C4' energy: -111.375
flat angles C4'-P-C4' energy: -97.750
flat angles P-C4'-P energy: -58.764
tors. eta vs tors. theta energy: -126.278
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: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1430.328968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.328968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.328968 (E_RNA)
where:
Base-Base interactions energy: -927.661
where: short stacking energy: -431.255
Base-Backbone interact. energy: -0.180
local terms energy: -502.488008
where:
bonds (distance) C4'-P energy: -91.506
bonds (distance) P-C4' energy: -99.682
flat angles C4'-P-C4' energy: -112.527
flat angles P-C4'-P energy: -73.799
tors. eta vs tors. theta energy: -124.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1268.673140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.673140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.673140 (E_RNA)
where:
Base-Base interactions energy: -801.664
where: short stacking energy: -380.977
Base-Backbone interact. energy: 1.656
local terms energy: -468.665708
where:
bonds (distance) C4'-P energy: -112.253
bonds (distance) P-C4' energy: -104.072
flat angles C4'-P-C4' energy: -93.225
flat angles P-C4'-P energy: -70.250
tors. eta vs tors. theta energy: -88.865
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: 6
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1063.398500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.398500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.398500 (E_RNA)
where:
Base-Base interactions energy: -650.080
where: short stacking energy: -316.507
Base-Backbone interact. energy: -3.421
local terms energy: -409.896770
where:
bonds (distance) C4'-P energy: -96.976
bonds (distance) P-C4' energy: -103.349
flat angles C4'-P-C4' energy: -89.142
flat angles P-C4'-P energy: -46.331
tors. eta vs tors. theta energy: -74.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1043.860147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.860147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.860147 (E_RNA)
where:
Base-Base interactions energy: -647.707
where: short stacking energy: -320.939
Base-Backbone interact. energy: -0.224
local terms energy: -395.928769
where:
bonds (distance) C4'-P energy: -73.331
bonds (distance) P-C4' energy: -94.140
flat angles C4'-P-C4' energy: -94.968
flat angles P-C4'-P energy: -58.022
tors. eta vs tors. theta energy: -75.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -849.444941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.444941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.444941 (E_RNA)
where:
Base-Base interactions energy: -496.428
where: short stacking energy: -257.978
Base-Backbone interact. energy: -0.268
local terms energy: -352.749575
where:
bonds (distance) C4'-P energy: -100.483
bonds (distance) P-C4' energy: -78.114
flat angles C4'-P-C4' energy: -84.475
flat angles P-C4'-P energy: -53.466
tors. eta vs tors. theta energy: -36.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -688.685988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.685988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.685988 (E_RNA)
where:
Base-Base interactions energy: -354.656
where: short stacking energy: -223.569
Base-Backbone interact. energy: -0.456
local terms energy: -333.574202
where:
bonds (distance) C4'-P energy: -94.392
bonds (distance) P-C4' energy: -94.444
flat angles C4'-P-C4' energy: -80.837
flat angles P-C4'-P energy: -36.178
tors. eta vs tors. theta energy: -27.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -429.103660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.103660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.103660 (E_RNA)
where:
Base-Base interactions energy: -152.319
where: short stacking energy: -121.904
Base-Backbone interact. energy: -2.136
local terms energy: -274.648287
where:
bonds (distance) C4'-P energy: -66.299
bonds (distance) P-C4' energy: -101.238
flat angles C4'-P-C4' energy: -57.858
flat angles P-C4'-P energy: -52.977
tors. eta vs tors. theta energy: 3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -413.135561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.135561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.135561 (E_RNA)
where:
Base-Base interactions energy: -127.450
where: short stacking energy: -110.365
Base-Backbone interact. energy: -0.582
local terms energy: -285.103754
where:
bonds (distance) C4'-P energy: -85.597
bonds (distance) P-C4' energy: -88.545
flat angles C4'-P-C4' energy: -87.029
flat angles P-C4'-P energy: -36.235
tors. eta vs tors. theta energy: 12.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1587.832699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.832699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.832699 (E_RNA)
where:
Base-Base interactions energy: -1064.124
where: short stacking energy: -486.746
Base-Backbone interact. energy: -2.724
local terms energy: -520.984901
where:
bonds (distance) C4'-P energy: -79.552
bonds (distance) P-C4' energy: -114.520
flat angles C4'-P-C4' energy: -104.670
flat angles P-C4'-P energy: -77.866
tors. eta vs tors. theta energy: -144.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1501.384935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.384935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.384935 (E_RNA)
where:
Base-Base interactions energy: -990.229
where: short stacking energy: -426.750
Base-Backbone interact. energy: -2.171
local terms energy: -508.984130
where:
bonds (distance) C4'-P energy: -92.193
bonds (distance) P-C4' energy: -101.077
flat angles C4'-P-C4' energy: -115.275
flat angles P-C4'-P energy: -75.776
tors. eta vs tors. theta energy: -124.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1410.674332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.674332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.674332 (E_RNA)
where:
Base-Base interactions energy: -926.286
where: short stacking energy: -427.732
Base-Backbone interact. energy: -0.057
local terms energy: -484.330558
where:
bonds (distance) C4'-P energy: -89.206
bonds (distance) P-C4' energy: -97.602
flat angles C4'-P-C4' energy: -112.285
flat angles P-C4'-P energy: -67.007
tors. eta vs tors. theta energy: -118.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1291.157629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.157629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.157629 (E_RNA)
where:
Base-Base interactions energy: -822.770
where: short stacking energy: -402.484
Base-Backbone interact. energy: -2.568
local terms energy: -465.819005
where:
bonds (distance) C4'-P energy: -93.093
bonds (distance) P-C4' energy: -108.006
flat angles C4'-P-C4' energy: -100.113
flat angles P-C4'-P energy: -53.756
tors. eta vs tors. theta energy: -110.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1070.921104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.921104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.921104 (E_RNA)
where:
Base-Base interactions energy: -648.480
where: short stacking energy: -326.654
Base-Backbone interact. energy: -1.330
local terms energy: -421.111135
where:
bonds (distance) C4'-P energy: -93.445
bonds (distance) P-C4' energy: -90.207
flat angles C4'-P-C4' energy: -99.976
flat angles P-C4'-P energy: -57.029
tors. eta vs tors. theta energy: -80.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1042.520739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.520739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.520739 (E_RNA)
where:
Base-Base interactions energy: -632.815
where: short stacking energy: -325.722
Base-Backbone interact. energy: 1.146
local terms energy: -410.851226
where:
bonds (distance) C4'-P energy: -89.816
bonds (distance) P-C4' energy: -92.692
flat angles C4'-P-C4' energy: -95.171
flat angles P-C4'-P energy: -56.786
tors. eta vs tors. theta energy: -76.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -838.725719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.725719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.725719 (E_RNA)
where:
Base-Base interactions energy: -476.325
where: short stacking energy: -251.832
Base-Backbone interact. energy: 3.599
local terms energy: -365.999431
where:
bonds (distance) C4'-P energy: -95.155
bonds (distance) P-C4' energy: -92.899
flat angles C4'-P-C4' energy: -78.798
flat angles P-C4'-P energy: -55.895
tors. eta vs tors. theta energy: -43.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -734.098952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.098952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.098952 (E_RNA)
where:
Base-Base interactions energy: -382.360
where: short stacking energy: -224.929
Base-Backbone interact. energy: 0.183
local terms energy: -351.921364
where:
bonds (distance) C4'-P energy: -84.297
bonds (distance) P-C4' energy: -96.336
flat angles C4'-P-C4' energy: -71.543
flat angles P-C4'-P energy: -63.800
tors. eta vs tors. theta energy: -35.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -454.864119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.864119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.864119 (E_RNA)
where:
Base-Base interactions energy: -191.542
where: short stacking energy: -130.219
Base-Backbone interact. energy: -0.564
local terms energy: -262.757818
where:
bonds (distance) C4'-P energy: -77.836
bonds (distance) P-C4' energy: -94.432
flat angles C4'-P-C4' energy: -53.074
flat angles P-C4'-P energy: -34.942
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -381.171384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.171384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.171384 (E_RNA)
where:
Base-Base interactions energy: -127.658
where: short stacking energy: -118.070
Base-Backbone interact. energy: 3.424
local terms energy: -256.937500
where:
bonds (distance) C4'-P energy: -72.559
bonds (distance) P-C4' energy: -78.913
flat angles C4'-P-C4' energy: -94.922
flat angles P-C4'-P energy: -36.885
tors. eta vs tors. theta energy: 26.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1551.159550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.159550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.159550 (E_RNA)
where:
Base-Base interactions energy: -1046.268
where: short stacking energy: -470.735
Base-Backbone interact. energy: -1.317
local terms energy: -503.574731
where:
bonds (distance) C4'-P energy: -96.287
bonds (distance) P-C4' energy: -102.584
flat angles C4'-P-C4' energy: -102.516
flat angles P-C4'-P energy: -70.454
tors. eta vs tors. theta energy: -131.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1528.849848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.849848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.849848 (E_RNA)
where:
Base-Base interactions energy: -1035.948
where: short stacking energy: -454.396
Base-Backbone interact. energy: -2.470
local terms energy: -490.430996
where:
bonds (distance) C4'-P energy: -91.919
bonds (distance) P-C4' energy: -106.167
flat angles C4'-P-C4' energy: -110.615
flat angles P-C4'-P energy: -63.888
tors. eta vs tors. theta energy: -117.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1358.038363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.038363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.038363 (E_RNA)
where:
Base-Base interactions energy: -888.836
where: short stacking energy: -393.616
Base-Backbone interact. energy: -1.642
local terms energy: -467.560689
where:
bonds (distance) C4'-P energy: -88.030
bonds (distance) P-C4' energy: -101.535
flat angles C4'-P-C4' energy: -105.458
flat angles P-C4'-P energy: -62.892
tors. eta vs tors. theta energy: -109.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1280.585575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.585575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.585575 (E_RNA)
where:
Base-Base interactions energy: -831.929
where: short stacking energy: -384.045
Base-Backbone interact. energy: -1.821
local terms energy: -446.836161
where:
bonds (distance) C4'-P energy: -95.835
bonds (distance) P-C4' energy: -97.413
flat angles C4'-P-C4' energy: -94.161
flat angles P-C4'-P energy: -71.704
tors. eta vs tors. theta energy: -87.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1083.484063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.484063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.484063 (E_RNA)
where:
Base-Base interactions energy: -673.035
where: short stacking energy: -335.427
Base-Backbone interact. energy: 1.068
local terms energy: -411.517651
where:
bonds (distance) C4'-P energy: -106.739
bonds (distance) P-C4' energy: -85.524
flat angles C4'-P-C4' energy: -86.387
flat angles P-C4'-P energy: -58.950
tors. eta vs tors. theta energy: -73.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1059.966532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.966532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.966532 (E_RNA)
where:
Base-Base interactions energy: -639.653
where: short stacking energy: -301.000
Base-Backbone interact. energy: 0.180
local terms energy: -420.493195
where:
bonds (distance) C4'-P energy: -104.173
bonds (distance) P-C4' energy: -90.440
flat angles C4'-P-C4' energy: -97.566
flat angles P-C4'-P energy: -62.090
tors. eta vs tors. theta energy: -66.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -888.180572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.180572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.180572 (E_RNA)
where:
Base-Base interactions energy: -527.756
where: short stacking energy: -263.852
Base-Backbone interact. energy: 5.065
local terms energy: -365.489640
where:
bonds (distance) C4'-P energy: -79.420
bonds (distance) P-C4' energy: -83.182
flat angles C4'-P-C4' energy: -83.934
flat angles P-C4'-P energy: -65.759
tors. eta vs tors. theta energy: -53.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -692.749140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.749140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.749140 (E_RNA)
where:
Base-Base interactions energy: -346.258
where: short stacking energy: -214.292
Base-Backbone interact. energy: 1.747
local terms energy: -348.238094
where:
bonds (distance) C4'-P energy: -94.444
bonds (distance) P-C4' energy: -87.389
flat angles C4'-P-C4' energy: -90.874
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -42.011
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: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -443.977725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.977725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.977725 (E_RNA)
where:
Base-Base interactions energy: -191.993
where: short stacking energy: -125.480
Base-Backbone interact. energy: -1.878
local terms energy: -250.151215
where:
bonds (distance) C4'-P energy: -83.250
bonds (distance) P-C4' energy: -86.078
flat angles C4'-P-C4' energy: -75.282
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: 30.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -383.838024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.838024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.838024 (E_RNA)
where:
Base-Base interactions energy: -132.924
where: short stacking energy: -110.842
Base-Backbone interact. energy: 0.072
local terms energy: -250.985667
where:
bonds (distance) C4'-P energy: -82.901
bonds (distance) P-C4' energy: -78.487
flat angles C4'-P-C4' energy: -79.516
flat angles P-C4'-P energy: -28.034
tors. eta vs tors. theta energy: 17.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1554.715360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.715360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.715360 (E_RNA)
where:
Base-Base interactions energy: -1045.084
where: short stacking energy: -447.197
Base-Backbone interact. energy: -2.866
local terms energy: -506.764886
where:
bonds (distance) C4'-P energy: -97.413
bonds (distance) P-C4' energy: -101.663
flat angles C4'-P-C4' energy: -109.860
flat angles P-C4'-P energy: -70.005
tors. eta vs tors. theta energy: -127.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1505.469172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.469172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.469172 (E_RNA)
where:
Base-Base interactions energy: -996.885
where: short stacking energy: -442.910
Base-Backbone interact. energy: 1.756
local terms energy: -510.340313
where:
bonds (distance) C4'-P energy: -104.281
bonds (distance) P-C4' energy: -107.455
flat angles C4'-P-C4' energy: -110.401
flat angles P-C4'-P energy: -67.296
tors. eta vs tors. theta energy: -120.907
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: 5
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1381.839727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.839727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.839727 (E_RNA)
where:
Base-Base interactions energy: -889.903
where: short stacking energy: -403.494
Base-Backbone interact. energy: -3.905
local terms energy: -488.031545
where:
bonds (distance) C4'-P energy: -98.853
bonds (distance) P-C4' energy: -95.216
flat angles C4'-P-C4' energy: -109.767
flat angles P-C4'-P energy: -72.165
tors. eta vs tors. theta energy: -112.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1243.893288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.893288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.893288 (E_RNA)
where:
Base-Base interactions energy: -797.929
where: short stacking energy: -370.512
Base-Backbone interact. energy: 0.038
local terms energy: -446.002113
where:
bonds (distance) C4'-P energy: -84.545
bonds (distance) P-C4' energy: -96.316
flat angles C4'-P-C4' energy: -112.253
flat angles P-C4'-P energy: -67.466
tors. eta vs tors. theta energy: -85.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1117.787597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.787597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.787597 (E_RNA)
where:
Base-Base interactions energy: -690.306
where: short stacking energy: -353.566
Base-Backbone interact. energy: -2.887
local terms energy: -424.595568
where:
bonds (distance) C4'-P energy: -76.496
bonds (distance) P-C4' energy: -83.524
flat angles C4'-P-C4' energy: -97.326
flat angles P-C4'-P energy: -65.907
tors. eta vs tors. theta energy: -101.342
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: 54
Temperature: 1.150000
Total energy: -1052.909119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.909119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.909119 (E_RNA)
where:
Base-Base interactions energy: -642.063
where: short stacking energy: -327.651
Base-Backbone interact. energy: 0.954
local terms energy: -411.800448
where:
bonds (distance) C4'-P energy: -85.682
bonds (distance) P-C4' energy: -89.246
flat angles C4'-P-C4' energy: -108.103
flat angles P-C4'-P energy: -65.692
tors. eta vs tors. theta energy: -63.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -879.569754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.569754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.569754 (E_RNA)
where:
Base-Base interactions energy: -532.256
where: short stacking energy: -266.789
Base-Backbone interact. energy: 1.565
local terms energy: -348.879208
where:
bonds (distance) C4'-P energy: -94.736
bonds (distance) P-C4' energy: -69.032
flat angles C4'-P-C4' energy: -81.928
flat angles P-C4'-P energy: -60.207
tors. eta vs tors. theta energy: -42.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -679.781653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.781653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.781653 (E_RNA)
where:
Base-Base interactions energy: -336.819
where: short stacking energy: -209.421
Base-Backbone interact. energy: -2.726
local terms energy: -340.237491
where:
bonds (distance) C4'-P energy: -92.077
bonds (distance) P-C4' energy: -98.656
flat angles C4'-P-C4' energy: -75.638
flat angles P-C4'-P energy: -56.934
tors. eta vs tors. theta energy: -16.933
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: 9, replica: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -443.165788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.165788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.165788 (E_RNA)
where:
Base-Base interactions energy: -188.548
where: short stacking energy: -145.915
Base-Backbone interact. energy: -0.211
local terms energy: -254.407075
where:
bonds (distance) C4'-P energy: -87.622
bonds (distance) P-C4' energy: -79.433
flat angles C4'-P-C4' energy: -62.519
flat angles P-C4'-P energy: -32.876
tors. eta vs tors. theta energy: 8.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -405.010595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.010595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.010595 (E_RNA)
where:
Base-Base interactions energy: -136.954
where: short stacking energy: -126.971
Base-Backbone interact. energy: -1.445
local terms energy: -266.611514
where:
bonds (distance) C4'-P energy: -72.631
bonds (distance) P-C4' energy: -87.331
flat angles C4'-P-C4' energy: -68.978
flat angles P-C4'-P energy: -46.496
tors. eta vs tors. theta energy: 8.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1595.110743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.110743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.110743 (E_RNA)
where:
Base-Base interactions energy: -1061.881
where: short stacking energy: -477.081
Base-Backbone interact. energy: -1.452
local terms energy: -531.777419
where:
bonds (distance) C4'-P energy: -110.046
bonds (distance) P-C4' energy: -105.920
flat angles C4'-P-C4' energy: -106.306
flat angles P-C4'-P energy: -78.017
tors. eta vs tors. theta energy: -131.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1482.685169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.685169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.685169 (E_RNA)
where:
Base-Base interactions energy: -997.971
where: short stacking energy: -462.141
Base-Backbone interact. energy: -3.840
local terms energy: -480.873712
where:
bonds (distance) C4'-P energy: -76.120
bonds (distance) P-C4' energy: -89.758
flat angles C4'-P-C4' energy: -116.616
flat angles P-C4'-P energy: -59.160
tors. eta vs tors. theta energy: -139.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1407.379260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.379260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.379260 (E_RNA)
where:
Base-Base interactions energy: -926.932
where: short stacking energy: -434.478
Base-Backbone interact. energy: -2.705
local terms energy: -477.741886
where:
bonds (distance) C4'-P energy: -96.851
bonds (distance) P-C4' energy: -106.458
flat angles C4'-P-C4' energy: -92.548
flat angles P-C4'-P energy: -65.101
tors. eta vs tors. theta energy: -116.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1257.631894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.631894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.631894 (E_RNA)
where:
Base-Base interactions energy: -809.653
where: short stacking energy: -390.012
Base-Backbone interact. energy: -1.389
local terms energy: -446.590124
where:
bonds (distance) C4'-P energy: -100.659
bonds (distance) P-C4' energy: -80.682
flat angles C4'-P-C4' energy: -99.620
flat angles P-C4'-P energy: -64.861
tors. eta vs tors. theta energy: -100.768
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: 5, replica: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1081.403183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.403183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.403183 (E_RNA)
where:
Base-Base interactions energy: -661.410
where: short stacking energy: -331.015
Base-Backbone interact. energy: -2.104
local terms energy: -417.888555
where:
bonds (distance) C4'-P energy: -100.889
bonds (distance) P-C4' energy: -94.370
flat angles C4'-P-C4' energy: -90.173
flat angles P-C4'-P energy: -58.300
tors. eta vs tors. theta energy: -74.156
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: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1068.943881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.943881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.943881 (E_RNA)
where:
Base-Base interactions energy: -670.342
where: short stacking energy: -337.063
Base-Backbone interact. energy: -0.680
local terms energy: -397.921880
where:
bonds (distance) C4'-P energy: -98.829
bonds (distance) P-C4' energy: -93.079
flat angles C4'-P-C4' energy: -94.789
flat angles P-C4'-P energy: -45.925
tors. eta vs tors. theta energy: -65.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -871.391189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.391189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.391189 (E_RNA)
where:
Base-Base interactions energy: -502.853
where: short stacking energy: -260.665
Base-Backbone interact. energy: -2.899
local terms energy: -365.639180
where:
bonds (distance) C4'-P energy: -92.756
bonds (distance) P-C4' energy: -99.149
flat angles C4'-P-C4' energy: -75.234
flat angles P-C4'-P energy: -45.959
tors. eta vs tors. theta energy: -52.542
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: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -732.399481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.399481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.399481 (E_RNA)
where:
Base-Base interactions energy: -405.479
where: short stacking energy: -208.894
Base-Backbone interact. energy: -2.772
local terms energy: -324.148310
where:
bonds (distance) C4'-P energy: -71.998
bonds (distance) P-C4' energy: -76.920
flat angles C4'-P-C4' energy: -89.054
flat angles P-C4'-P energy: -59.107
tors. eta vs tors. theta energy: -27.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -469.328313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.328313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.328313 (E_RNA)
where:
Base-Base interactions energy: -210.140
where: short stacking energy: -142.655
Base-Backbone interact. energy: 0.041
local terms energy: -259.229152
where:
bonds (distance) C4'-P energy: -66.532
bonds (distance) P-C4' energy: -88.344
flat angles C4'-P-C4' energy: -75.579
flat angles P-C4'-P energy: -34.183
tors. eta vs tors. theta energy: 5.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -382.273150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.273150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.273150 (E_RNA)
where:
Base-Base interactions energy: -127.437
where: short stacking energy: -105.225
Base-Backbone interact. energy: -3.357
local terms energy: -251.478473
where:
bonds (distance) C4'-P energy: -88.616
bonds (distance) P-C4' energy: -87.582
flat angles C4'-P-C4' energy: -53.265
flat angles P-C4'-P energy: -42.083
tors. eta vs tors. theta energy: 20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1598.254775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.254775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.254775 (E_RNA)
where:
Base-Base interactions energy: -1059.234
where: short stacking energy: -474.167
Base-Backbone interact. energy: -4.171
local terms energy: -534.849661
where:
bonds (distance) C4'-P energy: -102.587
bonds (distance) P-C4' energy: -111.959
flat angles C4'-P-C4' energy: -110.212
flat angles P-C4'-P energy: -66.965
tors. eta vs tors. theta energy: -143.127
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: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1511.890970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.890970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.890970 (E_RNA)
where:
Base-Base interactions energy: -1012.225
where: short stacking energy: -460.876
Base-Backbone interact. energy: -2.376
local terms energy: -497.289528
where:
bonds (distance) C4'-P energy: -82.831
bonds (distance) P-C4' energy: -105.208
flat angles C4'-P-C4' energy: -115.948
flat angles P-C4'-P energy: -71.998
tors. eta vs tors. theta energy: -121.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1395.648011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.648011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.648011 (E_RNA)
where:
Base-Base interactions energy: -907.299
where: short stacking energy: -422.337
Base-Backbone interact. energy: -2.897
local terms energy: -485.451655
where:
bonds (distance) C4'-P energy: -105.057
bonds (distance) P-C4' energy: -92.702
flat angles C4'-P-C4' energy: -107.111
flat angles P-C4'-P energy: -64.174
tors. eta vs tors. theta energy: -116.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1269.077952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.077952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.077952 (E_RNA)
where:
Base-Base interactions energy: -810.375
where: short stacking energy: -390.150
Base-Backbone interact. energy: -2.334
local terms energy: -456.369397
where:
bonds (distance) C4'-P energy: -93.681
bonds (distance) P-C4' energy: -105.002
flat angles C4'-P-C4' energy: -90.057
flat angles P-C4'-P energy: -67.729
tors. eta vs tors. theta energy: -99.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1082.673963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.673963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.673963 (E_RNA)
where:
Base-Base interactions energy: -667.443
where: short stacking energy: -303.665
Base-Backbone interact. energy: -1.406
local terms energy: -413.825463
where:
bonds (distance) C4'-P energy: -94.742
bonds (distance) P-C4' energy: -95.723
flat angles C4'-P-C4' energy: -101.930
flat angles P-C4'-P energy: -58.591
tors. eta vs tors. theta energy: -62.839
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: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1103.001575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.001575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.001575 (E_RNA)
where:
Base-Base interactions energy: -666.096
where: short stacking energy: -324.355
Base-Backbone interact. energy: 1.188
local terms energy: -438.093221
where:
bonds (distance) C4'-P energy: -83.569
bonds (distance) P-C4' energy: -96.841
flat angles C4'-P-C4' energy: -102.205
flat angles P-C4'-P energy: -72.943
tors. eta vs tors. theta energy: -82.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -892.674289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.674289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.674289 (E_RNA)
where:
Base-Base interactions energy: -533.941
where: short stacking energy: -262.632
Base-Backbone interact. energy: 0.763
local terms energy: -359.496667
where:
bonds (distance) C4'-P energy: -94.356
bonds (distance) P-C4' energy: -89.870
flat angles C4'-P-C4' energy: -77.710
flat angles P-C4'-P energy: -50.697
tors. eta vs tors. theta energy: -46.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -790.540315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.540315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.540315 (E_RNA)
where:
Base-Base interactions energy: -434.642
where: short stacking energy: -206.889
Base-Backbone interact. energy: -3.832
local terms energy: -352.065748
where:
bonds (distance) C4'-P energy: -89.082
bonds (distance) P-C4' energy: -96.063
flat angles C4'-P-C4' energy: -79.578
flat angles P-C4'-P energy: -54.525
tors. eta vs tors. theta energy: -32.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -486.090272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.090272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.090272 (E_RNA)
where:
Base-Base interactions energy: -198.566
where: short stacking energy: -131.649
Base-Backbone interact. energy: -1.214
local terms energy: -286.310819
where:
bonds (distance) C4'-P energy: -78.400
bonds (distance) P-C4' energy: -84.089
flat angles C4'-P-C4' energy: -76.925
flat angles P-C4'-P energy: -45.450
tors. eta vs tors. theta energy: -1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -440.972787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.972787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.972787 (E_RNA)
where:
Base-Base interactions energy: -174.345
where: short stacking energy: -128.506
Base-Backbone interact. energy: -1.456
local terms energy: -265.172232
where:
bonds (distance) C4'-P energy: -85.336
bonds (distance) P-C4' energy: -79.576
flat angles C4'-P-C4' energy: -69.869
flat angles P-C4'-P energy: -36.427
tors. eta vs tors. theta energy: 6.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1606.825580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.825580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.825580 (E_RNA)
where:
Base-Base interactions energy: -1080.271
where: short stacking energy: -493.292
Base-Backbone interact. energy: -1.706
local terms energy: -524.848233
where:
bonds (distance) C4'-P energy: -91.447
bonds (distance) P-C4' energy: -108.061
flat angles C4'-P-C4' energy: -116.396
flat angles P-C4'-P energy: -67.042
tors. eta vs tors. theta energy: -141.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1519.901966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.901966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.901966 (E_RNA)
where:
Base-Base interactions energy: -985.399
where: short stacking energy: -469.207
Base-Backbone interact. energy: -0.455
local terms energy: -534.047248
where:
bonds (distance) C4'-P energy: -100.320
bonds (distance) P-C4' energy: -106.928
flat angles C4'-P-C4' energy: -114.986
flat angles P-C4'-P energy: -76.929
tors. eta vs tors. theta energy: -134.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1431.567751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.567751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.567751 (E_RNA)
where:
Base-Base interactions energy: -929.375
where: short stacking energy: -418.697
Base-Backbone interact. energy: -1.590
local terms energy: -500.602947
where:
bonds (distance) C4'-P energy: -88.896
bonds (distance) P-C4' energy: -106.374
flat angles C4'-P-C4' energy: -118.833
flat angles P-C4'-P energy: -69.553
tors. eta vs tors. theta energy: -116.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1265.928226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.928226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.928226 (E_RNA)
where:
Base-Base interactions energy: -809.010
where: short stacking energy: -384.773
Base-Backbone interact. energy: -0.960
local terms energy: -455.957715
where:
bonds (distance) C4'-P energy: -108.508
bonds (distance) P-C4' energy: -94.752
flat angles C4'-P-C4' energy: -90.669
flat angles P-C4'-P energy: -69.679
tors. eta vs tors. theta energy: -92.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1126.411810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.411810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.411810 (E_RNA)
where:
Base-Base interactions energy: -704.239
where: short stacking energy: -348.264
Base-Backbone interact. energy: -0.857
local terms energy: -421.315807
where:
bonds (distance) C4'-P energy: -81.646
bonds (distance) P-C4' energy: -96.891
flat angles C4'-P-C4' energy: -106.459
flat angles P-C4'-P energy: -54.727
tors. eta vs tors. theta energy: -81.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1110.980243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.980243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.980243 (E_RNA)
where:
Base-Base interactions energy: -694.326
where: short stacking energy: -321.594
Base-Backbone interact. energy: -1.249
local terms energy: -415.405744
where:
bonds (distance) C4'-P energy: -81.728
bonds (distance) P-C4' energy: -98.717
flat angles C4'-P-C4' energy: -93.654
flat angles P-C4'-P energy: -70.122
tors. eta vs tors. theta energy: -71.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -894.263951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.263951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.263951 (E_RNA)
where:
Base-Base interactions energy: -547.076
where: short stacking energy: -248.817
Base-Backbone interact. energy: -1.276
local terms energy: -345.912351
where:
bonds (distance) C4'-P energy: -82.312
bonds (distance) P-C4' energy: -89.038
flat angles C4'-P-C4' energy: -88.206
flat angles P-C4'-P energy: -56.350
tors. eta vs tors. theta energy: -30.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -737.347277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.347277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.347277 (E_RNA)
where:
Base-Base interactions energy: -395.231
where: short stacking energy: -215.529
Base-Backbone interact. energy: -2.958
local terms energy: -339.158806
where:
bonds (distance) C4'-P energy: -89.213
bonds (distance) P-C4' energy: -76.762
flat angles C4'-P-C4' energy: -77.648
flat angles P-C4'-P energy: -46.884
tors. eta vs tors. theta energy: -48.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -404.940016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.940016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.940016 (E_RNA)
where:
Base-Base interactions energy: -146.142
where: short stacking energy: -121.968
Base-Backbone interact. energy: 7.930
local terms energy: -266.727677
where:
bonds (distance) C4'-P energy: -98.035
bonds (distance) P-C4' energy: -91.926
flat angles C4'-P-C4' energy: -58.538
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: 17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -442.191892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.191892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.191892 (E_RNA)
where:
Base-Base interactions energy: -175.025
where: short stacking energy: -122.823
Base-Backbone interact. energy: 6.074
local terms energy: -273.240656
where:
bonds (distance) C4'-P energy: -76.338
bonds (distance) P-C4' energy: -99.060
flat angles C4'-P-C4' energy: -71.178
flat angles P-C4'-P energy: -42.495
tors. eta vs tors. theta energy: 15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1573.580848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.580848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.580848 (E_RNA)
where:
Base-Base interactions energy: -1044.280
where: short stacking energy: -477.356
Base-Backbone interact. energy: -0.411
local terms energy: -528.888989
where:
bonds (distance) C4'-P energy: -97.689
bonds (distance) P-C4' energy: -110.941
flat angles C4'-P-C4' energy: -108.252
flat angles P-C4'-P energy: -76.806
tors. eta vs tors. theta energy: -135.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1517.771243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.771243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.771243 (E_RNA)
where:
Base-Base interactions energy: -1005.549
where: short stacking energy: -418.690
Base-Backbone interact. energy: -4.245
local terms energy: -507.977281
where:
bonds (distance) C4'-P energy: -111.282
bonds (distance) P-C4' energy: -106.470
flat angles C4'-P-C4' energy: -110.944
flat angles P-C4'-P energy: -64.720
tors. eta vs tors. theta energy: -114.561
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: 5
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1405.773684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.773684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.773684 (E_RNA)
where:
Base-Base interactions energy: -929.065
where: short stacking energy: -416.851
Base-Backbone interact. energy: -3.261
local terms energy: -473.448312
where:
bonds (distance) C4'-P energy: -103.209
bonds (distance) P-C4' energy: -90.979
flat angles C4'-P-C4' energy: -100.887
flat angles P-C4'-P energy: -61.927
tors. eta vs tors. theta energy: -116.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1344.542990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.542990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.542990 (E_RNA)
where:
Base-Base interactions energy: -902.409
where: short stacking energy: -400.856
Base-Backbone interact. energy: -0.842
local terms energy: -441.291631
where:
bonds (distance) C4'-P energy: -94.865
bonds (distance) P-C4' energy: -96.468
flat angles C4'-P-C4' energy: -87.646
flat angles P-C4'-P energy: -65.999
tors. eta vs tors. theta energy: -96.314
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: 6
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1128.923363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.923363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.923363 (E_RNA)
where:
Base-Base interactions energy: -696.708
where: short stacking energy: -347.410
Base-Backbone interact. energy: 1.020
local terms energy: -433.235909
where:
bonds (distance) C4'-P energy: -99.405
bonds (distance) P-C4' energy: -103.462
flat angles C4'-P-C4' energy: -86.095
flat angles P-C4'-P energy: -63.159
tors. eta vs tors. theta energy: -81.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1115.580742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.580742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.580742 (E_RNA)
where:
Base-Base interactions energy: -693.460
where: short stacking energy: -319.177
Base-Backbone interact. energy: -1.005
local terms energy: -421.116673
where:
bonds (distance) C4'-P energy: -91.595
bonds (distance) P-C4' energy: -96.056
flat angles C4'-P-C4' energy: -90.431
flat angles P-C4'-P energy: -68.344
tors. eta vs tors. theta energy: -74.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -766.357968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.357968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.357968 (E_RNA)
where:
Base-Base interactions energy: -430.074
where: short stacking energy: -234.920
Base-Backbone interact. energy: -0.526
local terms energy: -335.757969
where:
bonds (distance) C4'-P energy: -79.894
bonds (distance) P-C4' energy: -90.509
flat angles C4'-P-C4' energy: -95.286
flat angles P-C4'-P energy: -45.217
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -837.060181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.060181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.060181 (E_RNA)
where:
Base-Base interactions energy: -471.059
where: short stacking energy: -244.038
Base-Backbone interact. energy: 13.369
local terms energy: -379.369737
where:
bonds (distance) C4'-P energy: -85.886
bonds (distance) P-C4' energy: -88.075
flat angles C4'-P-C4' energy: -78.814
flat angles P-C4'-P energy: -58.919
tors. eta vs tors. theta energy: -67.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -461.458328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.458328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.458328 (E_RNA)
where:
Base-Base interactions energy: -178.556
where: short stacking energy: -114.018
Base-Backbone interact. energy: -1.998
local terms energy: -280.904319
where:
bonds (distance) C4'-P energy: -89.560
bonds (distance) P-C4' energy: -77.286
flat angles C4'-P-C4' energy: -76.132
flat angles P-C4'-P energy: -37.861
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -399.183093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.183093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.183093 (E_RNA)
where:
Base-Base interactions energy: -148.293
where: short stacking energy: -113.585
Base-Backbone interact. energy: -1.738
local terms energy: -249.152080
where:
bonds (distance) C4'-P energy: -93.873
bonds (distance) P-C4' energy: -67.845
flat angles C4'-P-C4' energy: -82.169
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: 18.208
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: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1551.069421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.069421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.069421 (E_RNA)
where:
Base-Base interactions energy: -1021.454
where: short stacking energy: -480.150
Base-Backbone interact. energy: 2.521
local terms energy: -532.136643
where:
bonds (distance) C4'-P energy: -113.960
bonds (distance) P-C4' energy: -101.588
flat angles C4'-P-C4' energy: -111.357
flat angles P-C4'-P energy: -68.996
tors. eta vs tors. theta energy: -136.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1536.079279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.079279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.079279 (E_RNA)
where:
Base-Base interactions energy: -1017.351
where: short stacking energy: -450.103
Base-Backbone interact. energy: -2.538
local terms energy: -516.190376
where:
bonds (distance) C4'-P energy: -101.440
bonds (distance) P-C4' energy: -103.560
flat angles C4'-P-C4' energy: -109.149
flat angles P-C4'-P energy: -69.875
tors. eta vs tors. theta energy: -132.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1411.100521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.100521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.100521 (E_RNA)
where:
Base-Base interactions energy: -922.725
where: short stacking energy: -406.225
Base-Backbone interact. energy: -2.002
local terms energy: -486.373063
where:
bonds (distance) C4'-P energy: -104.614
bonds (distance) P-C4' energy: -87.661
flat angles C4'-P-C4' energy: -99.081
flat angles P-C4'-P energy: -74.176
tors. eta vs tors. theta energy: -120.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1329.525559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.525559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.525559 (E_RNA)
where:
Base-Base interactions energy: -889.818
where: short stacking energy: -392.908
Base-Backbone interact. energy: -0.916
local terms energy: -438.791625
where:
bonds (distance) C4'-P energy: -76.425
bonds (distance) P-C4' energy: -103.605
flat angles C4'-P-C4' energy: -93.901
flat angles P-C4'-P energy: -63.804
tors. eta vs tors. theta energy: -101.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1131.766647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.766647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.766647 (E_RNA)
where:
Base-Base interactions energy: -724.431
where: short stacking energy: -328.026
Base-Backbone interact. energy: 8.207
local terms energy: -415.542495
where:
bonds (distance) C4'-P energy: -72.175
bonds (distance) P-C4' energy: -100.022
flat angles C4'-P-C4' energy: -100.692
flat angles P-C4'-P energy: -54.102
tors. eta vs tors. theta energy: -88.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1094.695553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.695553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.695553 (E_RNA)
where:
Base-Base interactions energy: -688.332
where: short stacking energy: -318.003
Base-Backbone interact. energy: 2.991
local terms energy: -409.354762
where:
bonds (distance) C4'-P energy: -90.992
bonds (distance) P-C4' energy: -92.234
flat angles C4'-P-C4' energy: -95.396
flat angles P-C4'-P energy: -67.233
tors. eta vs tors. theta energy: -63.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -790.372116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.372116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.372116 (E_RNA)
where:
Base-Base interactions energy: -432.410
where: short stacking energy: -240.657
Base-Backbone interact. energy: -3.840
local terms energy: -354.122312
where:
bonds (distance) C4'-P energy: -88.767
bonds (distance) P-C4' energy: -87.591
flat angles C4'-P-C4' energy: -71.766
flat angles P-C4'-P energy: -62.580
tors. eta vs tors. theta energy: -43.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -786.645746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.645746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.645746 (E_RNA)
where:
Base-Base interactions energy: -466.243
where: short stacking energy: -247.866
Base-Backbone interact. energy: -2.061
local terms energy: -318.341727
where:
bonds (distance) C4'-P energy: -80.090
bonds (distance) P-C4' energy: -89.918
flat angles C4'-P-C4' energy: -86.537
flat angles P-C4'-P energy: -33.938
tors. eta vs tors. theta energy: -27.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -465.664746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.664746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.664746 (E_RNA)
where:
Base-Base interactions energy: -192.926
where: short stacking energy: -136.406
Base-Backbone interact. energy: -0.282
local terms energy: -272.456270
where:
bonds (distance) C4'-P energy: -89.764
bonds (distance) P-C4' energy: -73.877
flat angles C4'-P-C4' energy: -76.282
flat angles P-C4'-P energy: -29.793
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -396.185972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.185972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.185972 (E_RNA)
where:
Base-Base interactions energy: -143.043
where: short stacking energy: -98.142
Base-Backbone interact. energy: 0.142
local terms energy: -253.285012
where:
bonds (distance) C4'-P energy: -88.891
bonds (distance) P-C4' energy: -84.805
flat angles C4'-P-C4' energy: -68.817
flat angles P-C4'-P energy: -32.455
tors. eta vs tors. theta energy: 21.683
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: 1, replica: 3
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1600.535596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.535596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.535596 (E_RNA)
where:
Base-Base interactions energy: -1055.261
where: short stacking energy: -489.781
Base-Backbone interact. energy: -0.877
local terms energy: -544.397922
where:
bonds (distance) C4'-P energy: -107.536
bonds (distance) P-C4' energy: -116.827
flat angles C4'-P-C4' energy: -105.298
flat angles P-C4'-P energy: -83.414
tors. eta vs tors. theta energy: -131.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1555.942005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.942005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.942005 (E_RNA)
where:
Base-Base interactions energy: -1036.788
where: short stacking energy: -466.254
Base-Backbone interact. energy: 0.493
local terms energy: -519.647521
where:
bonds (distance) C4'-P energy: -97.136
bonds (distance) P-C4' energy: -112.097
flat angles C4'-P-C4' energy: -114.945
flat angles P-C4'-P energy: -76.011
tors. eta vs tors. theta energy: -119.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1397.858150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.858150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.858150 (E_RNA)
where:
Base-Base interactions energy: -893.686
where: short stacking energy: -404.694
Base-Backbone interact. energy: -1.051
local terms energy: -503.120269
where:
bonds (distance) C4'-P energy: -99.279
bonds (distance) P-C4' energy: -100.093
flat angles C4'-P-C4' energy: -108.432
flat angles P-C4'-P energy: -75.024
tors. eta vs tors. theta energy: -120.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1370.830159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.830159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.830159 (E_RNA)
where:
Base-Base interactions energy: -917.097
where: short stacking energy: -393.696
Base-Backbone interact. energy: -1.976
local terms energy: -451.756798
where:
bonds (distance) C4'-P energy: -87.017
bonds (distance) P-C4' energy: -97.813
flat angles C4'-P-C4' energy: -98.136
flat angles P-C4'-P energy: -66.580
tors. eta vs tors. theta energy: -102.211
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: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1168.345742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.345742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.345742 (E_RNA)
where:
Base-Base interactions energy: -740.975
where: short stacking energy: -345.174
Base-Backbone interact. energy: -2.041
local terms energy: -425.329547
where:
bonds (distance) C4'-P energy: -88.558
bonds (distance) P-C4' energy: -96.747
flat angles C4'-P-C4' energy: -104.781
flat angles P-C4'-P energy: -55.159
tors. eta vs tors. theta energy: -80.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1089.229629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.229629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.229629 (E_RNA)
where:
Base-Base interactions energy: -702.342
where: short stacking energy: -318.553
Base-Backbone interact. energy: -2.239
local terms energy: -384.649025
where:
bonds (distance) C4'-P energy: -71.404
bonds (distance) P-C4' energy: -89.924
flat angles C4'-P-C4' energy: -94.663
flat angles P-C4'-P energy: -61.341
tors. eta vs tors. theta energy: -67.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -867.851465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.851465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.851465 (E_RNA)
where:
Base-Base interactions energy: -479.713
where: short stacking energy: -225.106
Base-Backbone interact. energy: 0.274
local terms energy: -388.412873
where:
bonds (distance) C4'-P energy: -109.223
bonds (distance) P-C4' energy: -100.194
flat angles C4'-P-C4' energy: -89.527
flat angles P-C4'-P energy: -49.197
tors. eta vs tors. theta energy: -40.272
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: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -716.830870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.830870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.830870 (E_RNA)
where:
Base-Base interactions energy: -399.233
where: short stacking energy: -202.587
Base-Backbone interact. energy: 1.504
local terms energy: -319.101563
where:
bonds (distance) C4'-P energy: -61.725
bonds (distance) P-C4' energy: -90.852
flat angles C4'-P-C4' energy: -88.093
flat angles P-C4'-P energy: -53.683
tors. eta vs tors. theta energy: -24.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -426.984038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.984038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.984038 (E_RNA)
where:
Base-Base interactions energy: -164.030
where: short stacking energy: -142.721
Base-Backbone interact. energy: -0.590
local terms energy: -262.364275
where:
bonds (distance) C4'-P energy: -86.191
bonds (distance) P-C4' energy: -86.285
flat angles C4'-P-C4' energy: -54.243
flat angles P-C4'-P energy: -37.541
tors. eta vs tors. theta energy: 1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -392.549063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.549063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.549063 (E_RNA)
where:
Base-Base interactions energy: -120.786
where: short stacking energy: -101.651
Base-Backbone interact. energy: 2.267
local terms energy: -274.029773
where:
bonds (distance) C4'-P energy: -82.266
bonds (distance) P-C4' energy: -100.628
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -50.520
tors. eta vs tors. theta energy: 19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1553.291460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.291460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.291460 (E_RNA)
where:
Base-Base interactions energy: -1015.812
where: short stacking energy: -484.870
Base-Backbone interact. energy: 0.933
local terms energy: -538.412058
where:
bonds (distance) C4'-P energy: -104.091
bonds (distance) P-C4' energy: -104.572
flat angles C4'-P-C4' energy: -117.889
flat angles P-C4'-P energy: -75.650
tors. eta vs tors. theta energy: -136.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1536.995873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.995873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.995873 (E_RNA)
where:
Base-Base interactions energy: -1038.215
where: short stacking energy: -454.926
Base-Backbone interact. energy: -0.898
local terms energy: -497.882056
where:
bonds (distance) C4'-P energy: -106.542
bonds (distance) P-C4' energy: -98.477
flat angles C4'-P-C4' energy: -108.604
flat angles P-C4'-P energy: -61.618
tors. eta vs tors. theta energy: -122.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1400.305103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.305103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.305103 (E_RNA)
where:
Base-Base interactions energy: -932.191
where: short stacking energy: -442.261
Base-Backbone interact. energy: -1.528
local terms energy: -466.586006
where:
bonds (distance) C4'-P energy: -91.214
bonds (distance) P-C4' energy: -93.857
flat angles C4'-P-C4' energy: -106.482
flat angles P-C4'-P energy: -66.538
tors. eta vs tors. theta energy: -108.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1374.716197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.716197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.716197 (E_RNA)
where:
Base-Base interactions energy: -890.884
where: short stacking energy: -402.818
Base-Backbone interact. energy: -0.758
local terms energy: -483.075050
where:
bonds (distance) C4'-P energy: -101.739
bonds (distance) P-C4' energy: -100.081
flat angles C4'-P-C4' energy: -106.914
flat angles P-C4'-P energy: -58.223
tors. eta vs tors. theta energy: -116.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1146.035951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.035951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.035951 (E_RNA)
where:
Base-Base interactions energy: -721.228
where: short stacking energy: -325.557
Base-Backbone interact. energy: -1.384
local terms energy: -423.423729
where:
bonds (distance) C4'-P energy: -86.131
bonds (distance) P-C4' energy: -102.489
flat angles C4'-P-C4' energy: -106.153
flat angles P-C4'-P energy: -46.101
tors. eta vs tors. theta energy: -82.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1050.754463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.754463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.754463 (E_RNA)
where:
Base-Base interactions energy: -634.320
where: short stacking energy: -306.086
Base-Backbone interact. energy: -1.799
local terms energy: -414.636030
where:
bonds (distance) C4'-P energy: -105.695
bonds (distance) P-C4' energy: -82.727
flat angles C4'-P-C4' energy: -84.495
flat angles P-C4'-P energy: -62.216
tors. eta vs tors. theta energy: -79.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -852.577439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.577439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.577439 (E_RNA)
where:
Base-Base interactions energy: -494.171
where: short stacking energy: -221.994
Base-Backbone interact. energy: 1.356
local terms energy: -359.761931
where:
bonds (distance) C4'-P energy: -88.668
bonds (distance) P-C4' energy: -95.866
flat angles C4'-P-C4' energy: -88.640
flat angles P-C4'-P energy: -58.238
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: 8, replica: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -741.364799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.364799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.364799 (E_RNA)
where:
Base-Base interactions energy: -421.101
where: short stacking energy: -226.682
Base-Backbone interact. energy: 0.356
local terms energy: -320.619685
where:
bonds (distance) C4'-P energy: -87.376
bonds (distance) P-C4' energy: -95.216
flat angles C4'-P-C4' energy: -69.454
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -28.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -469.025554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.025554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.025554 (E_RNA)
where:
Base-Base interactions energy: -168.027
where: short stacking energy: -137.793
Base-Backbone interact. energy: -1.175
local terms energy: -299.823201
where:
bonds (distance) C4'-P energy: -84.870
bonds (distance) P-C4' energy: -85.959
flat angles C4'-P-C4' energy: -82.137
flat angles P-C4'-P energy: -32.008
tors. eta vs tors. theta energy: -14.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -398.937601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.937601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.937601 (E_RNA)
where:
Base-Base interactions energy: -145.549
where: short stacking energy: -132.106
Base-Backbone interact. energy: -2.169
local terms energy: -251.219745
where:
bonds (distance) C4'-P energy: -78.674
bonds (distance) P-C4' energy: -82.884
flat angles C4'-P-C4' energy: -66.079
flat angles P-C4'-P energy: -40.531
tors. eta vs tors. theta energy: 16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1552.100015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.100015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.100015 (E_RNA)
where:
Base-Base interactions energy: -1040.762
where: short stacking energy: -469.665
Base-Backbone interact. energy: -1.914
local terms energy: -509.424084
where:
bonds (distance) C4'-P energy: -100.000
bonds (distance) P-C4' energy: -100.783
flat angles C4'-P-C4' energy: -112.547
flat angles P-C4'-P energy: -74.656
tors. eta vs tors. theta energy: -121.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1501.069579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.069579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.069579 (E_RNA)
where:
Base-Base interactions energy: -989.017
where: short stacking energy: -464.116
Base-Backbone interact. energy: -1.163
local terms energy: -510.889946
where:
bonds (distance) C4'-P energy: -88.546
bonds (distance) P-C4' energy: -97.820
flat angles C4'-P-C4' energy: -112.472
flat angles P-C4'-P energy: -75.111
tors. eta vs tors. theta energy: -136.941
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: 3, replica: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1439.840301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.840301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.840301 (E_RNA)
where:
Base-Base interactions energy: -932.408
where: short stacking energy: -453.863
Base-Backbone interact. energy: 0.911
local terms energy: -508.342664
where:
bonds (distance) C4'-P energy: -83.756
bonds (distance) P-C4' energy: -102.728
flat angles C4'-P-C4' energy: -112.086
flat angles P-C4'-P energy: -76.667
tors. eta vs tors. theta energy: -133.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1361.011027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.011027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.011027 (E_RNA)
where:
Base-Base interactions energy: -896.889
where: short stacking energy: -416.479
Base-Backbone interact. energy: -1.781
local terms energy: -462.340658
where:
bonds (distance) C4'-P energy: -88.315
bonds (distance) P-C4' energy: -89.493
flat angles C4'-P-C4' energy: -110.955
flat angles P-C4'-P energy: -62.024
tors. eta vs tors. theta energy: -111.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1185.192684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.192684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.192684 (E_RNA)
where:
Base-Base interactions energy: -760.718
where: short stacking energy: -341.821
Base-Backbone interact. energy: -3.120
local terms energy: -421.354541
where:
bonds (distance) C4'-P energy: -88.087
bonds (distance) P-C4' energy: -95.076
flat angles C4'-P-C4' energy: -95.417
flat angles P-C4'-P energy: -60.682
tors. eta vs tors. theta energy: -82.092
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: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1005.229750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.229750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.229750 (E_RNA)
where:
Base-Base interactions energy: -600.827
where: short stacking energy: -313.231
Base-Backbone interact. energy: -0.847
local terms energy: -403.556128
where:
bonds (distance) C4'-P energy: -89.790
bonds (distance) P-C4' energy: -96.482
flat angles C4'-P-C4' energy: -96.580
flat angles P-C4'-P energy: -48.089
tors. eta vs tors. theta energy: -72.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -831.405737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.405737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.405737 (E_RNA)
where:
Base-Base interactions energy: -477.733
where: short stacking energy: -225.389
Base-Backbone interact. energy: 1.335
local terms energy: -355.007126
where:
bonds (distance) C4'-P energy: -97.137
bonds (distance) P-C4' energy: -83.743
flat angles C4'-P-C4' energy: -90.257
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -39.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -745.701921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.701921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.701921 (E_RNA)
where:
Base-Base interactions energy: -397.882
where: short stacking energy: -210.146
Base-Backbone interact. energy: -3.095
local terms energy: -344.725183
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -72.691
flat angles C4'-P-C4' energy: -99.134
flat angles P-C4'-P energy: -62.464
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -437.051548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.051548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.051548 (E_RNA)
where:
Base-Base interactions energy: -143.288
where: short stacking energy: -101.378
Base-Backbone interact. energy: -1.459
local terms energy: -292.304444
where:
bonds (distance) C4'-P energy: -90.499
bonds (distance) P-C4' energy: -88.558
flat angles C4'-P-C4' energy: -65.277
flat angles P-C4'-P energy: -42.471
tors. eta vs tors. theta energy: -5.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -407.050695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.050695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.050695 (E_RNA)
where:
Base-Base interactions energy: -138.253
where: short stacking energy: -115.948
Base-Backbone interact. energy: 1.569
local terms energy: -270.366962
where:
bonds (distance) C4'-P energy: -76.722
bonds (distance) P-C4' energy: -90.604
flat angles C4'-P-C4' energy: -67.883
flat angles P-C4'-P energy: -39.576
tors. eta vs tors. theta energy: 4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1542.041242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.041242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.041242 (E_RNA)
where:
Base-Base interactions energy: -1023.138
where: short stacking energy: -476.919
Base-Backbone interact. energy: -2.118
local terms energy: -516.784380
where:
bonds (distance) C4'-P energy: -106.377
bonds (distance) P-C4' energy: -101.686
flat angles C4'-P-C4' energy: -106.912
flat angles P-C4'-P energy: -81.812
tors. eta vs tors. theta energy: -119.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1477.098272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.098272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.098272 (E_RNA)
where:
Base-Base interactions energy: -953.618
where: short stacking energy: -462.409
Base-Backbone interact. energy: -2.462
local terms energy: -521.018251
where:
bonds (distance) C4'-P energy: -109.367
bonds (distance) P-C4' energy: -92.654
flat angles C4'-P-C4' energy: -109.254
flat angles P-C4'-P energy: -78.968
tors. eta vs tors. theta energy: -130.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1414.922533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.922533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.922533 (E_RNA)
where:
Base-Base interactions energy: -950.312
where: short stacking energy: -442.225
Base-Backbone interact. energy: 1.009
local terms energy: -465.619095
where:
bonds (distance) C4'-P energy: -83.902
bonds (distance) P-C4' energy: -97.939
flat angles C4'-P-C4' energy: -102.786
flat angles P-C4'-P energy: -68.229
tors. eta vs tors. theta energy: -112.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1342.889948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.889948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.889948 (E_RNA)
where:
Base-Base interactions energy: -860.020
where: short stacking energy: -391.593
Base-Backbone interact. energy: -2.688
local terms energy: -480.181533
where:
bonds (distance) C4'-P energy: -97.306
bonds (distance) P-C4' energy: -86.836
flat angles C4'-P-C4' energy: -114.800
flat angles P-C4'-P energy: -60.769
tors. eta vs tors. theta energy: -120.470
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: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1195.961153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.961153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.961153 (E_RNA)
where:
Base-Base interactions energy: -748.741
where: short stacking energy: -330.823
Base-Backbone interact. energy: 1.499
local terms energy: -448.719242
where:
bonds (distance) C4'-P energy: -107.517
bonds (distance) P-C4' energy: -87.009
flat angles C4'-P-C4' energy: -100.828
flat angles P-C4'-P energy: -71.968
tors. eta vs tors. theta energy: -81.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1021.040659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.040659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.040659 (E_RNA)
where:
Base-Base interactions energy: -624.304
where: short stacking energy: -296.068
Base-Backbone interact. energy: -3.017
local terms energy: -393.720025
where:
bonds (distance) C4'-P energy: -69.017
bonds (distance) P-C4' energy: -104.473
flat angles C4'-P-C4' energy: -102.752
flat angles P-C4'-P energy: -62.182
tors. eta vs tors. theta energy: -55.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -849.192323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.192323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.192323 (E_RNA)
where:
Base-Base interactions energy: -504.725
where: short stacking energy: -233.743
Base-Backbone interact. energy: 4.459
local terms energy: -348.926179
where:
bonds (distance) C4'-P energy: -92.808
bonds (distance) P-C4' energy: -81.432
flat angles C4'-P-C4' energy: -80.837
flat angles P-C4'-P energy: -57.929
tors. eta vs tors. theta energy: -35.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -751.817987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.817987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.817987 (E_RNA)
where:
Base-Base interactions energy: -409.340
where: short stacking energy: -208.599
Base-Backbone interact. energy: -1.321
local terms energy: -341.156600
where:
bonds (distance) C4'-P energy: -92.749
bonds (distance) P-C4' energy: -87.846
flat angles C4'-P-C4' energy: -94.837
flat angles P-C4'-P energy: -57.477
tors. eta vs tors. theta energy: -8.248
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: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -428.856617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.856617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.856617 (E_RNA)
where:
Base-Base interactions energy: -141.723
where: short stacking energy: -112.930
Base-Backbone interact. energy: -0.281
local terms energy: -286.852653
where:
bonds (distance) C4'-P energy: -91.455
bonds (distance) P-C4' energy: -80.480
flat angles C4'-P-C4' energy: -91.007
flat angles P-C4'-P energy: -43.788
tors. eta vs tors. theta energy: 19.877
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: 63
Temperature: 1.350000
Total energy: -395.867712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.867712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.867712 (E_RNA)
where:
Base-Base interactions energy: -132.429
where: short stacking energy: -125.755
Base-Backbone interact. energy: -0.205
local terms energy: -263.233599
where:
bonds (distance) C4'-P energy: -82.522
bonds (distance) P-C4' energy: -83.286
flat angles C4'-P-C4' energy: -67.257
flat angles P-C4'-P energy: -49.943
tors. eta vs tors. theta energy: 19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1553.395744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.395744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.395744 (E_RNA)
where:
Base-Base interactions energy: -1033.048
where: short stacking energy: -470.237
Base-Backbone interact. energy: -0.576
local terms energy: -519.772105
where:
bonds (distance) C4'-P energy: -110.330
bonds (distance) P-C4' energy: -103.594
flat angles C4'-P-C4' energy: -113.720
flat angles P-C4'-P energy: -70.241
tors. eta vs tors. theta energy: -121.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1531.792125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.792125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.792125 (E_RNA)
where:
Base-Base interactions energy: -1014.955
where: short stacking energy: -471.586
Base-Backbone interact. energy: -3.555
local terms energy: -513.282200
where:
bonds (distance) C4'-P energy: -98.260
bonds (distance) P-C4' energy: -99.630
flat angles C4'-P-C4' energy: -113.601
flat angles P-C4'-P energy: -69.620
tors. eta vs tors. theta energy: -132.171
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: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1450.426590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.426590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.426590 (E_RNA)
where:
Base-Base interactions energy: -943.194
where: short stacking energy: -437.326
Base-Backbone interact. energy: -0.439
local terms energy: -506.794308
where:
bonds (distance) C4'-P energy: -97.688
bonds (distance) P-C4' energy: -112.865
flat angles C4'-P-C4' energy: -100.173
flat angles P-C4'-P energy: -74.460
tors. eta vs tors. theta energy: -121.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1321.070663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.070663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.070663 (E_RNA)
where:
Base-Base interactions energy: -868.453
where: short stacking energy: -391.588
Base-Backbone interact. energy: 0.466
local terms energy: -453.083704
where:
bonds (distance) C4'-P energy: -83.035
bonds (distance) P-C4' energy: -99.970
flat angles C4'-P-C4' energy: -94.904
flat angles P-C4'-P energy: -64.235
tors. eta vs tors. theta energy: -110.940
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: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1159.904159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.904159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.904159 (E_RNA)
where:
Base-Base interactions energy: -731.423
where: short stacking energy: -329.913
Base-Backbone interact. energy: 4.662
local terms energy: -433.143272
where:
bonds (distance) C4'-P energy: -101.973
bonds (distance) P-C4' energy: -95.040
flat angles C4'-P-C4' energy: -94.327
flat angles P-C4'-P energy: -56.211
tors. eta vs tors. theta energy: -85.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -986.717546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.717546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.717546 (E_RNA)
where:
Base-Base interactions energy: -602.477
where: short stacking energy: -278.501
Base-Backbone interact. energy: -1.528
local terms energy: -382.712865
where:
bonds (distance) C4'-P energy: -86.690
bonds (distance) P-C4' energy: -95.825
flat angles C4'-P-C4' energy: -91.010
flat angles P-C4'-P energy: -48.241
tors. eta vs tors. theta energy: -60.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -837.229299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.229299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.229299 (E_RNA)
where:
Base-Base interactions energy: -493.874
where: short stacking energy: -255.898
Base-Backbone interact. energy: -2.286
local terms energy: -341.069190
where:
bonds (distance) C4'-P energy: -82.730
bonds (distance) P-C4' energy: -82.540
flat angles C4'-P-C4' energy: -98.945
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -39.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -750.256275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.256275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.256275 (E_RNA)
where:
Base-Base interactions energy: -423.130
where: short stacking energy: -216.145
Base-Backbone interact. energy: 2.541
local terms energy: -329.667613
where:
bonds (distance) C4'-P energy: -77.819
bonds (distance) P-C4' energy: -98.432
flat angles C4'-P-C4' energy: -73.495
flat angles P-C4'-P energy: -59.859
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -469.828644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.828644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.828644 (E_RNA)
where:
Base-Base interactions energy: -198.008
where: short stacking energy: -144.022
Base-Backbone interact. energy: 0.013
local terms energy: -271.833075
where:
bonds (distance) C4'-P energy: -85.411
bonds (distance) P-C4' energy: -76.693
flat angles C4'-P-C4' energy: -64.843
flat angles P-C4'-P energy: -35.460
tors. eta vs tors. theta energy: -9.426
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: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -406.234738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.234738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.234738 (E_RNA)
where:
Base-Base interactions energy: -158.642
where: short stacking energy: -125.447
Base-Backbone interact. energy: -0.237
local terms energy: -247.355434
where:
bonds (distance) C4'-P energy: -80.041
bonds (distance) P-C4' energy: -75.880
flat angles C4'-P-C4' energy: -67.839
flat angles P-C4'-P energy: -40.690
tors. eta vs tors. theta energy: 17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1535.283223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.283223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.283223 (E_RNA)
where:
Base-Base interactions energy: -1016.811
where: short stacking energy: -464.085
Base-Backbone interact. energy: -3.406
local terms energy: -515.065936
where:
bonds (distance) C4'-P energy: -92.712
bonds (distance) P-C4' energy: -96.881
flat angles C4'-P-C4' energy: -120.471
flat angles P-C4'-P energy: -80.494
tors. eta vs tors. theta energy: -124.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1502.413799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.413799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.413799 (E_RNA)
where:
Base-Base interactions energy: -990.221
where: short stacking energy: -478.029
Base-Backbone interact. energy: -4.156
local terms energy: -508.036972
where:
bonds (distance) C4'-P energy: -85.964
bonds (distance) P-C4' energy: -99.202
flat angles C4'-P-C4' energy: -116.810
flat angles P-C4'-P energy: -64.418
tors. eta vs tors. theta energy: -141.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1441.363240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.363240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.363240 (E_RNA)
where:
Base-Base interactions energy: -942.488
where: short stacking energy: -438.583
Base-Backbone interact. energy: -0.126
local terms energy: -498.749134
where:
bonds (distance) C4'-P energy: -91.388
bonds (distance) P-C4' energy: -109.504
flat angles C4'-P-C4' energy: -103.749
flat angles P-C4'-P energy: -74.191
tors. eta vs tors. theta energy: -119.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1353.295878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.295878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.295878 (E_RNA)
where:
Base-Base interactions energy: -878.103
where: short stacking energy: -411.835
Base-Backbone interact. energy: 0.292
local terms energy: -475.485634
where:
bonds (distance) C4'-P energy: -105.420
bonds (distance) P-C4' energy: -110.405
flat angles C4'-P-C4' energy: -96.186
flat angles P-C4'-P energy: -51.989
tors. eta vs tors. theta energy: -111.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1239.374131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.374131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.374131 (E_RNA)
where:
Base-Base interactions energy: -814.128
where: short stacking energy: -374.502
Base-Backbone interact. energy: 0.114
local terms energy: -425.360053
where:
bonds (distance) C4'-P energy: -79.108
bonds (distance) P-C4' energy: -112.192
flat angles C4'-P-C4' energy: -94.726
flat angles P-C4'-P energy: -46.536
tors. eta vs tors. theta energy: -92.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1051.128450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.128450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.128450 (E_RNA)
where:
Base-Base interactions energy: -638.740
where: short stacking energy: -300.638
Base-Backbone interact. energy: -2.226
local terms energy: -410.162920
where:
bonds (distance) C4'-P energy: -94.653
bonds (distance) P-C4' energy: -91.380
flat angles C4'-P-C4' energy: -87.277
flat angles P-C4'-P energy: -67.869
tors. eta vs tors. theta energy: -68.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -883.120921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.120921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.120921 (E_RNA)
where:
Base-Base interactions energy: -502.328
where: short stacking energy: -264.164
Base-Backbone interact. energy: -0.134
local terms energy: -380.658904
where:
bonds (distance) C4'-P energy: -90.326
bonds (distance) P-C4' energy: -102.957
flat angles C4'-P-C4' energy: -82.507
flat angles P-C4'-P energy: -68.448
tors. eta vs tors. theta energy: -36.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -782.867255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.867255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.867255 (E_RNA)
where:
Base-Base interactions energy: -458.357
where: short stacking energy: -251.190
Base-Backbone interact. energy: -1.688
local terms energy: -322.822307
where:
bonds (distance) C4'-P energy: -81.003
bonds (distance) P-C4' energy: -93.930
flat angles C4'-P-C4' energy: -84.008
flat angles P-C4'-P energy: -35.541
tors. eta vs tors. theta energy: -28.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -447.839917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.839917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.839917 (E_RNA)
where:
Base-Base interactions energy: -159.370
where: short stacking energy: -145.353
Base-Backbone interact. energy: 1.193
local terms energy: -289.662684
where:
bonds (distance) C4'-P energy: -71.626
bonds (distance) P-C4' energy: -83.115
flat angles C4'-P-C4' energy: -75.652
flat angles P-C4'-P energy: -57.374
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -407.875150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.875150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.875150 (E_RNA)
where:
Base-Base interactions energy: -113.768
where: short stacking energy: -104.026
Base-Backbone interact. energy: -0.331
local terms energy: -293.775955
where:
bonds (distance) C4'-P energy: -71.331
bonds (distance) P-C4' energy: -97.828
flat angles C4'-P-C4' energy: -84.082
flat angles P-C4'-P energy: -48.527
tors. eta vs tors. theta energy: 7.992
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: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1539.236745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.236745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.236745 (E_RNA)
where:
Base-Base interactions energy: -1036.249
where: short stacking energy: -451.688
Base-Backbone interact. energy: -2.011
local terms energy: -500.977479
where:
bonds (distance) C4'-P energy: -88.862
bonds (distance) P-C4' energy: -102.441
flat angles C4'-P-C4' energy: -121.911
flat angles P-C4'-P energy: -77.865
tors. eta vs tors. theta energy: -109.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1507.501959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.501959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.501959 (E_RNA)
where:
Base-Base interactions energy: -982.894
where: short stacking energy: -452.783
Base-Backbone interact. energy: -0.175
local terms energy: -524.432448
where:
bonds (distance) C4'-P energy: -103.289
bonds (distance) P-C4' energy: -109.895
flat angles C4'-P-C4' energy: -110.596
flat angles P-C4'-P energy: -74.810
tors. eta vs tors. theta energy: -125.842
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: 66
Temperature: 1.000000
Total energy: -1473.843396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.843396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.843396 (E_RNA)
where:
Base-Base interactions energy: -961.599
where: short stacking energy: -431.799
Base-Backbone interact. energy: -0.467
local terms energy: -511.777472
where:
bonds (distance) C4'-P energy: -117.125
bonds (distance) P-C4' energy: -105.490
flat angles C4'-P-C4' energy: -100.441
flat angles P-C4'-P energy: -69.206
tors. eta vs tors. theta energy: -119.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1338.681710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.681710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.681710 (E_RNA)
where:
Base-Base interactions energy: -854.442
where: short stacking energy: -377.693
Base-Backbone interact. energy: -1.863
local terms energy: -482.376222
where:
bonds (distance) C4'-P energy: -99.018
bonds (distance) P-C4' energy: -105.118
flat angles C4'-P-C4' energy: -108.925
flat angles P-C4'-P energy: -73.283
tors. eta vs tors. theta energy: -96.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1246.022178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.022178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.022178 (E_RNA)
where:
Base-Base interactions energy: -810.596
where: short stacking energy: -381.786
Base-Backbone interact. energy: -3.249
local terms energy: -432.176727
where:
bonds (distance) C4'-P energy: -89.320
bonds (distance) P-C4' energy: -90.282
flat angles C4'-P-C4' energy: -89.608
flat angles P-C4'-P energy: -65.205
tors. eta vs tors. theta energy: -97.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1120.087373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.087373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.087373 (E_RNA)
where:
Base-Base interactions energy: -673.092
where: short stacking energy: -306.562
Base-Backbone interact. energy: -3.665
local terms energy: -443.330591
where:
bonds (distance) C4'-P energy: -92.865
bonds (distance) P-C4' energy: -100.499
flat angles C4'-P-C4' energy: -108.127
flat angles P-C4'-P energy: -65.837
tors. eta vs tors. theta energy: -76.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -840.553303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.553303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.553303 (E_RNA)
where:
Base-Base interactions energy: -495.434
where: short stacking energy: -201.739
Base-Backbone interact. energy: 2.906
local terms energy: -348.025699
where:
bonds (distance) C4'-P energy: -79.473
bonds (distance) P-C4' energy: -94.399
flat angles C4'-P-C4' energy: -83.278
flat angles P-C4'-P energy: -65.612
tors. eta vs tors. theta energy: -25.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -771.773735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.773735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.773735 (E_RNA)
where:
Base-Base interactions energy: -459.066
where: short stacking energy: -238.652
Base-Backbone interact. energy: 0.230
local terms energy: -312.937580
where:
bonds (distance) C4'-P energy: -72.743
bonds (distance) P-C4' energy: -84.308
flat angles C4'-P-C4' energy: -84.448
flat angles P-C4'-P energy: -40.989
tors. eta vs tors. theta energy: -30.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -483.968759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.968759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.968759 (E_RNA)
where:
Base-Base interactions energy: -200.473
where: short stacking energy: -155.569
Base-Backbone interact. energy: 0.020
local terms energy: -283.516163
where:
bonds (distance) C4'-P energy: -84.843
bonds (distance) P-C4' energy: -87.571
flat angles C4'-P-C4' energy: -58.559
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -395.898399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.898399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.898399 (E_RNA)
where:
Base-Base interactions energy: -151.355
where: short stacking energy: -115.559
Base-Backbone interact. energy: 1.449
local terms energy: -245.992728
where:
bonds (distance) C4'-P energy: -81.444
bonds (distance) P-C4' energy: -72.394
flat angles C4'-P-C4' energy: -71.581
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: 9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1536.606105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.606105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.606105 (E_RNA)
where:
Base-Base interactions energy: -1029.170
where: short stacking energy: -447.268
Base-Backbone interact. energy: -0.444
local terms energy: -506.991717
where:
bonds (distance) C4'-P energy: -94.512
bonds (distance) P-C4' energy: -104.026
flat angles C4'-P-C4' energy: -110.267
flat angles P-C4'-P energy: -78.321
tors. eta vs tors. theta energy: -119.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1480.273011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.273011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.273011 (E_RNA)
where:
Base-Base interactions energy: -963.304
where: short stacking energy: -456.020
Base-Backbone interact. energy: 2.411
local terms energy: -519.379824
where:
bonds (distance) C4'-P energy: -94.124
bonds (distance) P-C4' energy: -106.255
flat angles C4'-P-C4' energy: -111.565
flat angles P-C4'-P energy: -73.695
tors. eta vs tors. theta energy: -133.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1457.963912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.963912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.963912 (E_RNA)
where:
Base-Base interactions energy: -963.696
where: short stacking energy: -431.417
Base-Backbone interact. energy: -1.022
local terms energy: -493.245616
where:
bonds (distance) C4'-P energy: -97.024
bonds (distance) P-C4' energy: -108.415
flat angles C4'-P-C4' energy: -100.056
flat angles P-C4'-P energy: -66.316
tors. eta vs tors. theta energy: -121.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1318.009695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.009695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.009695 (E_RNA)
where:
Base-Base interactions energy: -877.647
where: short stacking energy: -403.289
Base-Backbone interact. energy: -1.388
local terms energy: -438.974640
where:
bonds (distance) C4'-P energy: -94.849
bonds (distance) P-C4' energy: -83.263
flat angles C4'-P-C4' energy: -101.077
flat angles P-C4'-P energy: -52.129
tors. eta vs tors. theta energy: -107.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1229.900879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.900879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.900879 (E_RNA)
where:
Base-Base interactions energy: -779.638
where: short stacking energy: -366.878
Base-Backbone interact. energy: -2.001
local terms energy: -448.261655
where:
bonds (distance) C4'-P energy: -92.566
bonds (distance) P-C4' energy: -98.515
flat angles C4'-P-C4' energy: -109.825
flat angles P-C4'-P energy: -61.608
tors. eta vs tors. theta energy: -85.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1101.895344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.895344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.895344 (E_RNA)
where:
Base-Base interactions energy: -695.444
where: short stacking energy: -315.017
Base-Backbone interact. energy: -0.324
local terms energy: -406.127188
where:
bonds (distance) C4'-P energy: -91.405
bonds (distance) P-C4' energy: -81.338
flat angles C4'-P-C4' energy: -98.226
flat angles P-C4'-P energy: -49.596
tors. eta vs tors. theta energy: -85.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -828.521503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.521503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.521503 (E_RNA)
where:
Base-Base interactions energy: -514.433
where: short stacking energy: -241.818
Base-Backbone interact. energy: 4.339
local terms energy: -318.426892
where:
bonds (distance) C4'-P energy: -80.608
bonds (distance) P-C4' energy: -85.459
flat angles C4'-P-C4' energy: -77.519
flat angles P-C4'-P energy: -35.369
tors. eta vs tors. theta energy: -39.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -751.907407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.907407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.907407 (E_RNA)
where:
Base-Base interactions energy: -411.055
where: short stacking energy: -212.614
Base-Backbone interact. energy: -2.990
local terms energy: -337.862544
where:
bonds (distance) C4'-P energy: -84.025
bonds (distance) P-C4' energy: -83.548
flat angles C4'-P-C4' energy: -82.697
flat angles P-C4'-P energy: -54.784
tors. eta vs tors. theta energy: -32.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -445.354077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.354077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.354077 (E_RNA)
where:
Base-Base interactions energy: -159.171
where: short stacking energy: -123.746
Base-Backbone interact. energy: 0.507
local terms energy: -286.690841
where:
bonds (distance) C4'-P energy: -99.229
bonds (distance) P-C4' energy: -82.655
flat angles C4'-P-C4' energy: -73.278
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: 8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -370.275174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.275174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.275174 (E_RNA)
where:
Base-Base interactions energy: -115.945
where: short stacking energy: -106.145
Base-Backbone interact. energy: 3.042
local terms energy: -257.372092
where:
bonds (distance) C4'-P energy: -89.642
bonds (distance) P-C4' energy: -88.926
flat angles C4'-P-C4' energy: -73.578
flat angles P-C4'-P energy: -36.517
tors. eta vs tors. theta energy: 31.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1543.531127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.531127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.531127 (E_RNA)
where:
Base-Base interactions energy: -1031.717
where: short stacking energy: -472.265
Base-Backbone interact. energy: -2.758
local terms energy: -509.055725
where:
bonds (distance) C4'-P energy: -94.771
bonds (distance) P-C4' energy: -104.458
flat angles C4'-P-C4' energy: -117.307
flat angles P-C4'-P energy: -66.835
tors. eta vs tors. theta energy: -125.685
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: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1484.574417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.574417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.574417 (E_RNA)
where:
Base-Base interactions energy: -955.460
where: short stacking energy: -451.210
Base-Backbone interact. energy: 2.135
local terms energy: -531.249459
where:
bonds (distance) C4'-P energy: -103.425
bonds (distance) P-C4' energy: -102.310
flat angles C4'-P-C4' energy: -120.259
flat angles P-C4'-P energy: -75.670
tors. eta vs tors. theta energy: -129.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1516.438997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.438997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.438997 (E_RNA)
where:
Base-Base interactions energy: -1015.773
where: short stacking energy: -453.702
Base-Backbone interact. energy: -2.183
local terms energy: -498.482827
where:
bonds (distance) C4'-P energy: -91.915
bonds (distance) P-C4' energy: -94.443
flat angles C4'-P-C4' energy: -99.843
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -130.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1334.747518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.747518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.747518 (E_RNA)
where:
Base-Base interactions energy: -880.559
where: short stacking energy: -379.143
Base-Backbone interact. energy: -3.715
local terms energy: -450.473972
where:
bonds (distance) C4'-P energy: -80.314
bonds (distance) P-C4' energy: -80.902
flat angles C4'-P-C4' energy: -116.563
flat angles P-C4'-P energy: -68.689
tors. eta vs tors. theta energy: -104.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1185.282844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.282844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.282844 (E_RNA)
where:
Base-Base interactions energy: -736.274
where: short stacking energy: -335.001
Base-Backbone interact. energy: 1.360
local terms energy: -450.368560
where:
bonds (distance) C4'-P energy: -98.453
bonds (distance) P-C4' energy: -106.103
flat angles C4'-P-C4' energy: -93.073
flat angles P-C4'-P energy: -63.844
tors. eta vs tors. theta energy: -88.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1060.020212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.020212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.020212 (E_RNA)
where:
Base-Base interactions energy: -641.907
where: short stacking energy: -294.067
Base-Backbone interact. energy: -1.743
local terms energy: -416.369829
where:
bonds (distance) C4'-P energy: -91.663
bonds (distance) P-C4' energy: -98.859
flat angles C4'-P-C4' energy: -95.884
flat angles P-C4'-P energy: -57.932
tors. eta vs tors. theta energy: -72.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -926.327304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.327304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.327304 (E_RNA)
where:
Base-Base interactions energy: -572.888
where: short stacking energy: -279.076
Base-Backbone interact. energy: -2.317
local terms energy: -351.123038
where:
bonds (distance) C4'-P energy: -73.027
bonds (distance) P-C4' energy: -96.461
flat angles C4'-P-C4' energy: -68.714
flat angles P-C4'-P energy: -60.777
tors. eta vs tors. theta energy: -52.143
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: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -717.492962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.492962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.492962 (E_RNA)
where:
Base-Base interactions energy: -400.546
where: short stacking energy: -215.183
Base-Backbone interact. energy: 0.543
local terms energy: -317.490367
where:
bonds (distance) C4'-P energy: -79.264
bonds (distance) P-C4' energy: -76.936
flat angles C4'-P-C4' energy: -75.960
flat angles P-C4'-P energy: -62.241
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -445.062924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.062924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.062924 (E_RNA)
where:
Base-Base interactions energy: -158.694
where: short stacking energy: -124.350
Base-Backbone interact. energy: 0.972
local terms energy: -287.341064
where:
bonds (distance) C4'-P energy: -76.590
bonds (distance) P-C4' energy: -91.054
flat angles C4'-P-C4' energy: -69.485
flat angles P-C4'-P energy: -61.749
tors. eta vs tors. theta energy: 11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -406.052266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.052266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.052266 (E_RNA)
where:
Base-Base interactions energy: -167.728
where: short stacking energy: -123.258
Base-Backbone interact. energy: 0.079
local terms energy: -238.403563
where:
bonds (distance) C4'-P energy: -61.527
bonds (distance) P-C4' energy: -76.606
flat angles C4'-P-C4' energy: -77.931
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: 17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1568.050010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.050010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.050010 (E_RNA)
where:
Base-Base interactions energy: -1031.188
where: short stacking energy: -478.380
Base-Backbone interact. energy: -2.376
local terms energy: -534.486139
where:
bonds (distance) C4'-P energy: -113.462
bonds (distance) P-C4' energy: -106.288
flat angles C4'-P-C4' energy: -114.978
flat angles P-C4'-P energy: -73.314
tors. eta vs tors. theta energy: -126.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1490.108974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.108974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.108974 (E_RNA)
where:
Base-Base interactions energy: -988.240
where: short stacking energy: -453.799
Base-Backbone interact. energy: -1.539
local terms energy: -500.329595
where:
bonds (distance) C4'-P energy: -97.081
bonds (distance) P-C4' energy: -102.804
flat angles C4'-P-C4' energy: -99.853
flat angles P-C4'-P energy: -61.180
tors. eta vs tors. theta energy: -139.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1510.107855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.107855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.107855 (E_RNA)
where:
Base-Base interactions energy: -1016.867
where: short stacking energy: -466.157
Base-Backbone interact. energy: -1.599
local terms energy: -491.641955
where:
bonds (distance) C4'-P energy: -80.553
bonds (distance) P-C4' energy: -102.335
flat angles C4'-P-C4' energy: -109.208
flat angles P-C4'-P energy: -66.172
tors. eta vs tors. theta energy: -133.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1319.996946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.996946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.996946 (E_RNA)
where:
Base-Base interactions energy: -848.426
where: short stacking energy: -389.759
Base-Backbone interact. energy: -1.159
local terms energy: -470.411355
where:
bonds (distance) C4'-P energy: -96.350
bonds (distance) P-C4' energy: -97.264
flat angles C4'-P-C4' energy: -115.672
flat angles P-C4'-P energy: -51.177
tors. eta vs tors. theta energy: -109.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1073.963886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.963886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.963886 (E_RNA)
where:
Base-Base interactions energy: -674.589
where: short stacking energy: -302.638
Base-Backbone interact. energy: -0.150
local terms energy: -399.224905
where:
bonds (distance) C4'-P energy: -87.603
bonds (distance) P-C4' energy: -90.324
flat angles C4'-P-C4' energy: -95.637
flat angles P-C4'-P energy: -58.444
tors. eta vs tors. theta energy: -67.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1114.055502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.055502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.055502 (E_RNA)
where:
Base-Base interactions energy: -726.400
where: short stacking energy: -310.927
Base-Backbone interact. energy: 3.887
local terms energy: -391.542756
where:
bonds (distance) C4'-P energy: -84.096
bonds (distance) P-C4' energy: -92.012
flat angles C4'-P-C4' energy: -98.686
flat angles P-C4'-P energy: -42.133
tors. eta vs tors. theta energy: -74.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1030.285217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.285217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.285217 (E_RNA)
where:
Base-Base interactions energy: -644.096
where: short stacking energy: -281.446
Base-Backbone interact. energy: -0.168
local terms energy: -386.021555
where:
bonds (distance) C4'-P energy: -94.512
bonds (distance) P-C4' energy: -102.717
flat angles C4'-P-C4' energy: -79.057
flat angles P-C4'-P energy: -50.835
tors. eta vs tors. theta energy: -58.901
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: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -776.209141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.209141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.209141 (E_RNA)
where:
Base-Base interactions energy: -424.258
where: short stacking energy: -193.176
Base-Backbone interact. energy: -1.149
local terms energy: -350.802425
where:
bonds (distance) C4'-P energy: -85.451
bonds (distance) P-C4' energy: -109.256
flat angles C4'-P-C4' energy: -86.178
flat angles P-C4'-P energy: -51.382
tors. eta vs tors. theta energy: -18.535
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: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -450.665926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.665926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.665926 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -132.695
Base-Backbone interact. energy: -0.423
local terms energy: -311.022153
where:
bonds (distance) C4'-P energy: -100.279
bonds (distance) P-C4' energy: -74.852
flat angles C4'-P-C4' energy: -84.667
flat angles P-C4'-P energy: -43.191
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -420.507574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.507574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.507574 (E_RNA)
where:
Base-Base interactions energy: -150.672
where: short stacking energy: -131.827
Base-Backbone interact. energy: 1.653
local terms energy: -271.488783
where:
bonds (distance) C4'-P energy: -73.971
bonds (distance) P-C4' energy: -104.376
flat angles C4'-P-C4' energy: -65.865
flat angles P-C4'-P energy: -38.352
tors. eta vs tors. theta energy: 11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1579.903294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.903294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.903294 (E_RNA)
where:
Base-Base interactions energy: -1045.856
where: short stacking energy: -472.126
Base-Backbone interact. energy: -2.913
local terms energy: -531.134205
where:
bonds (distance) C4'-P energy: -99.709
bonds (distance) P-C4' energy: -107.797
flat angles C4'-P-C4' energy: -113.673
flat angles P-C4'-P energy: -75.362
tors. eta vs tors. theta energy: -134.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1504.113405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.113405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.113405 (E_RNA)
where:
Base-Base interactions energy: -986.358
where: short stacking energy: -455.143
Base-Backbone interact. energy: 0.884
local terms energy: -518.639652
where:
bonds (distance) C4'-P energy: -103.460
bonds (distance) P-C4' energy: -101.400
flat angles C4'-P-C4' energy: -105.313
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -140.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1476.522136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.522136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.522136 (E_RNA)
where:
Base-Base interactions energy: -996.395
where: short stacking energy: -453.303
Base-Backbone interact. energy: -0.831
local terms energy: -479.296184
where:
bonds (distance) C4'-P energy: -100.332
bonds (distance) P-C4' energy: -80.476
flat angles C4'-P-C4' energy: -112.581
flat angles P-C4'-P energy: -64.844
tors. eta vs tors. theta energy: -121.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1281.001881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.001881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.001881 (E_RNA)
where:
Base-Base interactions energy: -830.337
where: short stacking energy: -383.985
Base-Backbone interact. energy: 1.579
local terms energy: -452.244537
where:
bonds (distance) C4'-P energy: -80.756
bonds (distance) P-C4' energy: -92.850
flat angles C4'-P-C4' energy: -104.415
flat angles P-C4'-P energy: -70.028
tors. eta vs tors. theta energy: -104.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1172.209037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.209037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.209037 (E_RNA)
where:
Base-Base interactions energy: -762.944
where: short stacking energy: -343.675
Base-Backbone interact. energy: -2.354
local terms energy: -406.910543
where:
bonds (distance) C4'-P energy: -88.251
bonds (distance) P-C4' energy: -92.143
flat angles C4'-P-C4' energy: -86.937
flat angles P-C4'-P energy: -64.480
tors. eta vs tors. theta energy: -75.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1135.886686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.886686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.886686 (E_RNA)
where:
Base-Base interactions energy: -736.089
where: short stacking energy: -304.030
Base-Backbone interact. energy: -2.683
local terms energy: -397.114725
where:
bonds (distance) C4'-P energy: -90.078
bonds (distance) P-C4' energy: -99.854
flat angles C4'-P-C4' energy: -99.265
flat angles P-C4'-P energy: -39.404
tors. eta vs tors. theta energy: -68.514
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: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1042.880926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.880926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.880926 (E_RNA)
where:
Base-Base interactions energy: -632.149
where: short stacking energy: -313.659
Base-Backbone interact. energy: -2.624
local terms energy: -408.107821
where:
bonds (distance) C4'-P energy: -87.818
bonds (distance) P-C4' energy: -95.683
flat angles C4'-P-C4' energy: -101.363
flat angles P-C4'-P energy: -55.367
tors. eta vs tors. theta energy: -67.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -766.136289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.136289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.136289 (E_RNA)
where:
Base-Base interactions energy: -409.915
where: short stacking energy: -207.671
Base-Backbone interact. energy: 2.880
local terms energy: -359.101265
where:
bonds (distance) C4'-P energy: -80.001
bonds (distance) P-C4' energy: -102.159
flat angles C4'-P-C4' energy: -93.187
flat angles P-C4'-P energy: -53.394
tors. eta vs tors. theta energy: -30.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -439.408066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.408066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.408066 (E_RNA)
where:
Base-Base interactions energy: -171.526
where: short stacking energy: -116.798
Base-Backbone interact. energy: -1.131
local terms energy: -266.751395
where:
bonds (distance) C4'-P energy: -82.860
bonds (distance) P-C4' energy: -96.672
flat angles C4'-P-C4' energy: -66.107
flat angles P-C4'-P energy: -40.732
tors. eta vs tors. theta energy: 19.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -380.814125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.814125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.814125 (E_RNA)
where:
Base-Base interactions energy: -148.955
where: short stacking energy: -112.777
Base-Backbone interact. energy: 0.776
local terms energy: -232.634796
where:
bonds (distance) C4'-P energy: -60.856
bonds (distance) P-C4' energy: -97.448
flat angles C4'-P-C4' energy: -54.009
flat angles P-C4'-P energy: -38.842
tors. eta vs tors. theta energy: 18.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1597.296030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.296030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.296030 (E_RNA)
where:
Base-Base interactions energy: -1065.041
where: short stacking energy: -482.207
Base-Backbone interact. energy: -2.118
local terms energy: -530.136744
where:
bonds (distance) C4'-P energy: -109.695
bonds (distance) P-C4' energy: -101.839
flat angles C4'-P-C4' energy: -109.238
flat angles P-C4'-P energy: -74.560
tors. eta vs tors. theta energy: -134.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1530.468086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.468086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.468086 (E_RNA)
where:
Base-Base interactions energy: -1021.334
where: short stacking energy: -462.747
Base-Backbone interact. energy: -1.002
local terms energy: -508.132850
where:
bonds (distance) C4'-P energy: -90.526
bonds (distance) P-C4' energy: -106.992
flat angles C4'-P-C4' energy: -102.723
flat angles P-C4'-P energy: -82.209
tors. eta vs tors. theta energy: -125.683
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: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1451.657118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.657118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.657118 (E_RNA)
where:
Base-Base interactions energy: -963.441
where: short stacking energy: -453.157
Base-Backbone interact. energy: -1.676
local terms energy: -486.540283
where:
bonds (distance) C4'-P energy: -91.297
bonds (distance) P-C4' energy: -91.884
flat angles C4'-P-C4' energy: -106.422
flat angles P-C4'-P energy: -60.552
tors. eta vs tors. theta energy: -136.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1282.688724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.688724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.688724 (E_RNA)
where:
Base-Base interactions energy: -817.192
where: short stacking energy: -387.910
Base-Backbone interact. energy: -0.860
local terms energy: -464.637143
where:
bonds (distance) C4'-P energy: -99.581
bonds (distance) P-C4' energy: -108.983
flat angles C4'-P-C4' energy: -100.907
flat angles P-C4'-P energy: -54.470
tors. eta vs tors. theta energy: -100.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1243.205872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.205872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.205872 (E_RNA)
where:
Base-Base interactions energy: -773.238
where: short stacking energy: -353.338
Base-Backbone interact. energy: -0.618
local terms energy: -469.349372
where:
bonds (distance) C4'-P energy: -102.816
bonds (distance) P-C4' energy: -112.426
flat angles C4'-P-C4' energy: -105.854
flat angles P-C4'-P energy: -58.265
tors. eta vs tors. theta energy: -89.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1133.073805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.073805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.073805 (E_RNA)
where:
Base-Base interactions energy: -753.386
where: short stacking energy: -339.337
Base-Backbone interact. energy: -0.266
local terms energy: -379.421574
where:
bonds (distance) C4'-P energy: -87.029
bonds (distance) P-C4' energy: -80.130
flat angles C4'-P-C4' energy: -85.046
flat angles P-C4'-P energy: -64.314
tors. eta vs tors. theta energy: -62.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -957.138869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.138869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.138869 (E_RNA)
where:
Base-Base interactions energy: -573.423
where: short stacking energy: -289.673
Base-Backbone interact. energy: -2.817
local terms energy: -380.899111
where:
bonds (distance) C4'-P energy: -89.673
bonds (distance) P-C4' energy: -90.499
flat angles C4'-P-C4' energy: -86.347
flat angles P-C4'-P energy: -53.561
tors. eta vs tors. theta energy: -60.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -743.550499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.550499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.550499 (E_RNA)
where:
Base-Base interactions energy: -410.364
where: short stacking energy: -218.326
Base-Backbone interact. energy: -0.471
local terms energy: -332.715087
where:
bonds (distance) C4'-P energy: -106.745
bonds (distance) P-C4' energy: -86.299
flat angles C4'-P-C4' energy: -73.087
flat angles P-C4'-P energy: -42.126
tors. eta vs tors. theta energy: -24.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -437.092586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.092586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.092586 (E_RNA)
where:
Base-Base interactions energy: -159.856
where: short stacking energy: -143.481
Base-Backbone interact. energy: -3.010
local terms energy: -274.227108
where:
bonds (distance) C4'-P energy: -76.602
bonds (distance) P-C4' energy: -101.090
flat angles C4'-P-C4' energy: -60.147
flat angles P-C4'-P energy: -43.865
tors. eta vs tors. theta energy: 7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -402.823883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.823883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.823883 (E_RNA)
where:
Base-Base interactions energy: -140.617
where: short stacking energy: -127.698
Base-Backbone interact. energy: -0.030
local terms energy: -262.176848
where:
bonds (distance) C4'-P energy: -80.052
bonds (distance) P-C4' energy: -80.710
flat angles C4'-P-C4' energy: -83.294
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: 6.430
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: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1595.292697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.292697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.292697 (E_RNA)
where:
Base-Base interactions energy: -1046.415
where: short stacking energy: -492.423
Base-Backbone interact. energy: -1.970
local terms energy: -546.906934
where:
bonds (distance) C4'-P energy: -104.687
bonds (distance) P-C4' energy: -105.736
flat angles C4'-P-C4' energy: -128.436
flat angles P-C4'-P energy: -70.856
tors. eta vs tors. theta energy: -137.191
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: 2, replica: 10
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1517.279604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.279604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.279604 (E_RNA)
where:
Base-Base interactions energy: -994.734
where: short stacking energy: -457.236
Base-Backbone interact. energy: -1.051
local terms energy: -521.495105
where:
bonds (distance) C4'-P energy: -106.654
bonds (distance) P-C4' energy: -100.097
flat angles C4'-P-C4' energy: -113.161
flat angles P-C4'-P energy: -66.894
tors. eta vs tors. theta energy: -134.688
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: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1430.221694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.221694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.221694 (E_RNA)
where:
Base-Base interactions energy: -952.467
where: short stacking energy: -445.465
Base-Backbone interact. energy: -1.109
local terms energy: -476.645261
where:
bonds (distance) C4'-P energy: -80.339
bonds (distance) P-C4' energy: -105.349
flat angles C4'-P-C4' energy: -101.281
flat angles P-C4'-P energy: -68.977
tors. eta vs tors. theta energy: -120.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1303.086631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.086631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.086631 (E_RNA)
where:
Base-Base interactions energy: -858.819
where: short stacking energy: -408.359
Base-Backbone interact. energy: -1.578
local terms energy: -442.688792
where:
bonds (distance) C4'-P energy: -85.053
bonds (distance) P-C4' energy: -108.840
flat angles C4'-P-C4' energy: -97.188
flat angles P-C4'-P energy: -54.308
tors. eta vs tors. theta energy: -97.301
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: 5, replica: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1223.240444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.240444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.240444 (E_RNA)
where:
Base-Base interactions energy: -811.809
where: short stacking energy: -354.732
Base-Backbone interact. energy: -0.725
local terms energy: -410.705838
where:
bonds (distance) C4'-P energy: -102.196
bonds (distance) P-C4' energy: -74.284
flat angles C4'-P-C4' energy: -98.313
flat angles P-C4'-P energy: -46.894
tors. eta vs tors. theta energy: -89.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1120.444234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.444234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.444234 (E_RNA)
where:
Base-Base interactions energy: -706.554
where: short stacking energy: -321.951
Base-Backbone interact. energy: -0.620
local terms energy: -413.270474
where:
bonds (distance) C4'-P energy: -86.981
bonds (distance) P-C4' energy: -92.375
flat angles C4'-P-C4' energy: -102.236
flat angles P-C4'-P energy: -58.246
tors. eta vs tors. theta energy: -73.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -900.305295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.305295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.305295 (E_RNA)
where:
Base-Base interactions energy: -495.070
where: short stacking energy: -267.392
Base-Backbone interact. energy: -1.398
local terms energy: -403.837711
where:
bonds (distance) C4'-P energy: -89.841
bonds (distance) P-C4' energy: -102.603
flat angles C4'-P-C4' energy: -104.777
flat angles P-C4'-P energy: -63.302
tors. eta vs tors. theta energy: -43.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -770.069692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.069692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.069692 (E_RNA)
where:
Base-Base interactions energy: -437.857
where: short stacking energy: -259.939
Base-Backbone interact. energy: 4.005
local terms energy: -336.217037
where:
bonds (distance) C4'-P energy: -78.726
bonds (distance) P-C4' energy: -89.629
flat angles C4'-P-C4' energy: -70.621
flat angles P-C4'-P energy: -56.476
tors. eta vs tors. theta energy: -40.766
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: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -417.444572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.444572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.444572 (E_RNA)
where:
Base-Base interactions energy: -154.220
where: short stacking energy: -125.376
Base-Backbone interact. energy: 11.998
local terms energy: -275.223309
where:
bonds (distance) C4'-P energy: -78.144
bonds (distance) P-C4' energy: -87.342
flat angles C4'-P-C4' energy: -74.669
flat angles P-C4'-P energy: -39.965
tors. eta vs tors. theta energy: 4.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -415.121005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.121005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.121005 (E_RNA)
where:
Base-Base interactions energy: -135.968
where: short stacking energy: -105.073
Base-Backbone interact. energy: -1.177
local terms energy: -277.976331
where:
bonds (distance) C4'-P energy: -78.089
bonds (distance) P-C4' energy: -97.318
flat angles C4'-P-C4' energy: -74.809
flat angles P-C4'-P energy: -32.680
tors. eta vs tors. theta energy: 4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1588.089338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.089338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.089338 (E_RNA)
where:
Base-Base interactions energy: -1057.614
where: short stacking energy: -481.579
Base-Backbone interact. energy: -1.039
local terms energy: -529.436445
where:
bonds (distance) C4'-P energy: -98.497
bonds (distance) P-C4' energy: -108.057
flat angles C4'-P-C4' energy: -115.237
flat angles P-C4'-P energy: -72.586
tors. eta vs tors. theta energy: -135.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1543.808542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.808542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.808542 (E_RNA)
where:
Base-Base interactions energy: -1013.489
where: short stacking energy: -464.097
Base-Backbone interact. energy: -3.027
local terms energy: -527.292595
where:
bonds (distance) C4'-P energy: -100.123
bonds (distance) P-C4' energy: -96.354
flat angles C4'-P-C4' energy: -114.466
flat angles P-C4'-P energy: -79.673
tors. eta vs tors. theta energy: -136.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1409.230400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.230400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.230400 (E_RNA)
where:
Base-Base interactions energy: -911.965
where: short stacking energy: -440.379
Base-Backbone interact. energy: 2.788
local terms energy: -500.053739
where:
bonds (distance) C4'-P energy: -102.497
bonds (distance) P-C4' energy: -94.588
flat angles C4'-P-C4' energy: -102.521
flat angles P-C4'-P energy: -77.477
tors. eta vs tors. theta energy: -122.971
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: 4, replica: 5
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1350.635526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.635526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.635526 (E_RNA)
where:
Base-Base interactions energy: -873.749
where: short stacking energy: -416.053
Base-Backbone interact. energy: 0.186
local terms energy: -477.072697
where:
bonds (distance) C4'-P energy: -104.325
bonds (distance) P-C4' energy: -94.702
flat angles C4'-P-C4' energy: -92.951
flat angles P-C4'-P energy: -67.093
tors. eta vs tors. theta energy: -118.001
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: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1246.736216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.736216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.736216 (E_RNA)
where:
Base-Base interactions energy: -820.550
where: short stacking energy: -398.332
Base-Backbone interact. energy: -1.170
local terms energy: -425.016648
where:
bonds (distance) C4'-P energy: -95.528
bonds (distance) P-C4' energy: -94.553
flat angles C4'-P-C4' energy: -85.259
flat angles P-C4'-P energy: -57.452
tors. eta vs tors. theta energy: -92.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1153.580795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.580795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.580795 (E_RNA)
where:
Base-Base interactions energy: -730.123
where: short stacking energy: -349.752
Base-Backbone interact. energy: -0.363
local terms energy: -423.093964
where:
bonds (distance) C4'-P energy: -91.533
bonds (distance) P-C4' energy: -93.997
flat angles C4'-P-C4' energy: -109.678
flat angles P-C4'-P energy: -44.364
tors. eta vs tors. theta energy: -83.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -848.072578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.072578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.072578 (E_RNA)
where:
Base-Base interactions energy: -465.067
where: short stacking energy: -236.219
Base-Backbone interact. energy: -1.621
local terms energy: -381.384144
where:
bonds (distance) C4'-P energy: -87.186
bonds (distance) P-C4' energy: -94.562
flat angles C4'-P-C4' energy: -92.735
flat angles P-C4'-P energy: -49.812
tors. eta vs tors. theta energy: -57.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -732.498059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.498059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.498059 (E_RNA)
where:
Base-Base interactions energy: -374.120
where: short stacking energy: -214.371
Base-Backbone interact. energy: -0.980
local terms energy: -357.398900
where:
bonds (distance) C4'-P energy: -80.358
bonds (distance) P-C4' energy: -92.185
flat angles C4'-P-C4' energy: -101.762
flat angles P-C4'-P energy: -59.583
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: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -460.711304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.711304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.711304 (E_RNA)
where:
Base-Base interactions energy: -170.907
where: short stacking energy: -141.236
Base-Backbone interact. energy: -1.043
local terms energy: -288.761329
where:
bonds (distance) C4'-P energy: -88.094
bonds (distance) P-C4' energy: -83.242
flat angles C4'-P-C4' energy: -65.598
flat angles P-C4'-P energy: -46.931
tors. eta vs tors. theta energy: -4.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -380.339412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.339412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.339412 (E_RNA)
where:
Base-Base interactions energy: -131.165
where: short stacking energy: -93.112
Base-Backbone interact. energy: -2.486
local terms energy: -246.688346
where:
bonds (distance) C4'-P energy: -87.073
bonds (distance) P-C4' energy: -98.811
flat angles C4'-P-C4' energy: -72.646
flat angles P-C4'-P energy: -28.336
tors. eta vs tors. theta energy: 40.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1620.590292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.590292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.590292 (E_RNA)
where:
Base-Base interactions energy: -1082.474
where: short stacking energy: -491.343
Base-Backbone interact. energy: -1.420
local terms energy: -536.696620
where:
bonds (distance) C4'-P energy: -106.349
bonds (distance) P-C4' energy: -105.053
flat angles C4'-P-C4' energy: -109.767
flat angles P-C4'-P energy: -86.722
tors. eta vs tors. theta energy: -128.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1544.414444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.414444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.414444 (E_RNA)
where:
Base-Base interactions energy: -1035.713
where: short stacking energy: -458.877
Base-Backbone interact. energy: 2.326
local terms energy: -511.027519
where:
bonds (distance) C4'-P energy: -97.129
bonds (distance) P-C4' energy: -102.819
flat angles C4'-P-C4' energy: -103.756
flat angles P-C4'-P energy: -76.971
tors. eta vs tors. theta energy: -130.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1391.257830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.257830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.257830 (E_RNA)
where:
Base-Base interactions energy: -907.390
where: short stacking energy: -434.671
Base-Backbone interact. energy: -3.348
local terms energy: -480.519716
where:
bonds (distance) C4'-P energy: -84.601
bonds (distance) P-C4' energy: -93.860
flat angles C4'-P-C4' energy: -115.822
flat angles P-C4'-P energy: -70.695
tors. eta vs tors. theta energy: -115.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1328.915025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.915025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.915025 (E_RNA)
where:
Base-Base interactions energy: -858.272
where: short stacking energy: -378.215
Base-Backbone interact. energy: 1.632
local terms energy: -472.274620
where:
bonds (distance) C4'-P energy: -85.563
bonds (distance) P-C4' energy: -105.785
flat angles C4'-P-C4' energy: -111.376
flat angles P-C4'-P energy: -68.236
tors. eta vs tors. theta energy: -101.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1229.426897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.426897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.426897 (E_RNA)
where:
Base-Base interactions energy: -796.825
where: short stacking energy: -348.797
Base-Backbone interact. energy: -0.372
local terms energy: -432.229637
where:
bonds (distance) C4'-P energy: -101.971
bonds (distance) P-C4' energy: -91.727
flat angles C4'-P-C4' energy: -95.897
flat angles P-C4'-P energy: -62.072
tors. eta vs tors. theta energy: -80.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1099.956390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.956390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.956390 (E_RNA)
where:
Base-Base interactions energy: -703.152
where: short stacking energy: -350.638
Base-Backbone interact. energy: 0.875
local terms energy: -397.679503
where:
bonds (distance) C4'-P energy: -77.465
bonds (distance) P-C4' energy: -90.801
flat angles C4'-P-C4' energy: -83.260
flat angles P-C4'-P energy: -66.358
tors. eta vs tors. theta energy: -79.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -883.927857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.927857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.927857 (E_RNA)
where:
Base-Base interactions energy: -507.034
where: short stacking energy: -245.107
Base-Backbone interact. energy: -2.490
local terms energy: -374.403732
where:
bonds (distance) C4'-P energy: -71.770
bonds (distance) P-C4' energy: -97.411
flat angles C4'-P-C4' energy: -97.917
flat angles P-C4'-P energy: -58.802
tors. eta vs tors. theta energy: -48.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -777.503881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.503881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.503881 (E_RNA)
where:
Base-Base interactions energy: -456.279
where: short stacking energy: -232.220
Base-Backbone interact. energy: -2.617
local terms energy: -318.608119
where:
bonds (distance) C4'-P energy: -85.849
bonds (distance) P-C4' energy: -71.707
flat angles C4'-P-C4' energy: -77.511
flat angles P-C4'-P energy: -50.190
tors. eta vs tors. theta energy: -33.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -422.549284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.549284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.549284 (E_RNA)
where:
Base-Base interactions energy: -152.007
where: short stacking energy: -131.917
Base-Backbone interact. energy: 2.515
local terms energy: -273.057754
where:
bonds (distance) C4'-P energy: -84.906
bonds (distance) P-C4' energy: -87.352
flat angles C4'-P-C4' energy: -65.036
flat angles P-C4'-P energy: -35.877
tors. eta vs tors. theta energy: 0.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -371.081981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.081981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.081981 (E_RNA)
where:
Base-Base interactions energy: -121.905
where: short stacking energy: -108.529
Base-Backbone interact. energy: -0.311
local terms energy: -248.865445
where:
bonds (distance) C4'-P energy: -91.016
bonds (distance) P-C4' energy: -70.906
flat angles C4'-P-C4' energy: -70.891
flat angles P-C4'-P energy: -41.470
tors. eta vs tors. theta energy: 25.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1602.677552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.677552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.677552 (E_RNA)
where:
Base-Base interactions energy: -1068.874
where: short stacking energy: -492.572
Base-Backbone interact. energy: -2.814
local terms energy: -530.989968
where:
bonds (distance) C4'-P energy: -101.960
bonds (distance) P-C4' energy: -108.215
flat angles C4'-P-C4' energy: -118.914
flat angles P-C4'-P energy: -78.683
tors. eta vs tors. theta energy: -123.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1536.660696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.660696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.660696 (E_RNA)
where:
Base-Base interactions energy: -1017.469
where: short stacking energy: -441.120
Base-Backbone interact. energy: 0.010
local terms energy: -519.201327
where:
bonds (distance) C4'-P energy: -111.115
bonds (distance) P-C4' energy: -95.536
flat angles C4'-P-C4' energy: -110.246
flat angles P-C4'-P energy: -76.643
tors. eta vs tors. theta energy: -125.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1397.087431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.087431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.087431 (E_RNA)
where:
Base-Base interactions energy: -906.338
where: short stacking energy: -449.390
Base-Backbone interact. energy: 0.319
local terms energy: -491.069053
where:
bonds (distance) C4'-P energy: -97.965
bonds (distance) P-C4' energy: -96.610
flat angles C4'-P-C4' energy: -105.434
flat angles P-C4'-P energy: -71.368
tors. eta vs tors. theta energy: -119.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1334.199017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.199017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.199017 (E_RNA)
where:
Base-Base interactions energy: -883.639
where: short stacking energy: -412.027
Base-Backbone interact. energy: -2.557
local terms energy: -448.003631
where:
bonds (distance) C4'-P energy: -70.758
bonds (distance) P-C4' energy: -95.528
flat angles C4'-P-C4' energy: -100.943
flat angles P-C4'-P energy: -62.813
tors. eta vs tors. theta energy: -117.962
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: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1232.361246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.361246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.361246 (E_RNA)
where:
Base-Base interactions energy: -778.325
where: short stacking energy: -358.257
Base-Backbone interact. energy: -0.383
local terms energy: -453.653080
where:
bonds (distance) C4'-P energy: -92.497
bonds (distance) P-C4' energy: -99.456
flat angles C4'-P-C4' energy: -103.673
flat angles P-C4'-P energy: -57.293
tors. eta vs tors. theta energy: -100.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1159.310961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.310961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.310961 (E_RNA)
where:
Base-Base interactions energy: -741.669
where: short stacking energy: -337.815
Base-Backbone interact. energy: 0.103
local terms energy: -417.745213
where:
bonds (distance) C4'-P energy: -94.695
bonds (distance) P-C4' energy: -93.444
flat angles C4'-P-C4' energy: -99.347
flat angles P-C4'-P energy: -52.219
tors. eta vs tors. theta energy: -78.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -908.471297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.471297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.471297 (E_RNA)
where:
Base-Base interactions energy: -560.699
where: short stacking energy: -273.704
Base-Backbone interact. energy: -3.072
local terms energy: -344.700292
where:
bonds (distance) C4'-P energy: -86.184
bonds (distance) P-C4' energy: -72.417
flat angles C4'-P-C4' energy: -79.996
flat angles P-C4'-P energy: -64.545
tors. eta vs tors. theta energy: -41.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -795.380172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.380172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.380172 (E_RNA)
where:
Base-Base interactions energy: -462.220
where: short stacking energy: -242.130
Base-Backbone interact. energy: -1.066
local terms energy: -332.094455
where:
bonds (distance) C4'-P energy: -84.847
bonds (distance) P-C4' energy: -86.912
flat angles C4'-P-C4' energy: -82.098
flat angles P-C4'-P energy: -51.228
tors. eta vs tors. theta energy: -27.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -429.367340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.367340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.367340 (E_RNA)
where:
Base-Base interactions energy: -156.705
where: short stacking energy: -112.474
Base-Backbone interact. energy: 7.040
local terms energy: -280.602970
where:
bonds (distance) C4'-P energy: -77.617
bonds (distance) P-C4' energy: -87.683
flat angles C4'-P-C4' energy: -89.473
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: 12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.900 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -386.140411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.140411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.140411 (E_RNA)
where:
Base-Base interactions energy: -125.234
where: short stacking energy: -108.878
Base-Backbone interact. energy: 2.160
local terms energy: -263.066300
where:
bonds (distance) C4'-P energy: -69.672
bonds (distance) P-C4' energy: -80.112
flat angles C4'-P-C4' energy: -72.697
flat angles P-C4'-P energy: -51.401
tors. eta vs tors. theta energy: 10.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1621.796411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.796411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.796411 (E_RNA)
where:
Base-Base interactions energy: -1076.269
where: short stacking energy: -486.642
Base-Backbone interact. energy: -1.711
local terms energy: -544.262029
where:
bonds (distance) C4'-P energy: -111.252
bonds (distance) P-C4' energy: -109.069
flat angles C4'-P-C4' energy: -109.061
flat angles P-C4'-P energy: -83.916
tors. eta vs tors. theta energy: -130.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.445 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1515.130647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.130647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.130647 (E_RNA)
where:
Base-Base interactions energy: -1030.866
where: short stacking energy: -466.019
Base-Backbone interact. energy: -1.514
local terms energy: -482.751018
where:
bonds (distance) C4'-P energy: -87.208
bonds (distance) P-C4' energy: -96.955
flat angles C4'-P-C4' energy: -108.757
flat angles P-C4'-P energy: -74.529
tors. eta vs tors. theta energy: -115.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1368.343449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.343449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.343449 (E_RNA)
where:
Base-Base interactions energy: -879.918
where: short stacking energy: -425.486
Base-Backbone interact. energy: -2.875
local terms energy: -485.550637
where:
bonds (distance) C4'-P energy: -96.143
bonds (distance) P-C4' energy: -107.089
flat angles C4'-P-C4' energy: -111.050
flat angles P-C4'-P energy: -69.663
tors. eta vs tors. theta energy: -101.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1349.671330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.671330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.671330 (E_RNA)
where:
Base-Base interactions energy: -871.614
where: short stacking energy: -396.458
Base-Backbone interact. energy: 1.445
local terms energy: -479.501600
where:
bonds (distance) C4'-P energy: -81.930
bonds (distance) P-C4' energy: -108.619
flat angles C4'-P-C4' energy: -108.120
flat angles P-C4'-P energy: -77.806
tors. eta vs tors. theta energy: -103.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1247.664197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.664197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.664197 (E_RNA)
where:
Base-Base interactions energy: -774.297
where: short stacking energy: -342.646
Base-Backbone interact. energy: -2.565
local terms energy: -470.802929
where:
bonds (distance) C4'-P energy: -95.197
bonds (distance) P-C4' energy: -116.754
flat angles C4'-P-C4' energy: -109.848
flat angles P-C4'-P energy: -58.370
tors. eta vs tors. theta energy: -90.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1198.750266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.750266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.750266 (E_RNA)
where:
Base-Base interactions energy: -766.777
where: short stacking energy: -337.574
Base-Backbone interact. energy: -2.599
local terms energy: -429.373693
where:
bonds (distance) C4'-P energy: -93.962
bonds (distance) P-C4' energy: -94.178
flat angles C4'-P-C4' energy: -93.932
flat angles P-C4'-P energy: -62.288
tors. eta vs tors. theta energy: -85.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -917.740615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.740615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.740615 (E_RNA)
where:
Base-Base interactions energy: -551.040
where: short stacking energy: -274.521
Base-Backbone interact. energy: -1.796
local terms energy: -364.904174
where:
bonds (distance) C4'-P energy: -91.301
bonds (distance) P-C4' energy: -74.460
flat angles C4'-P-C4' energy: -94.378
flat angles P-C4'-P energy: -58.243
tors. eta vs tors. theta energy: -46.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -800.088192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.088192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.088192 (E_RNA)
where:
Base-Base interactions energy: -471.767
where: short stacking energy: -222.009
Base-Backbone interact. energy: -2.736
local terms energy: -325.584676
where:
bonds (distance) C4'-P energy: -78.198
bonds (distance) P-C4' energy: -81.102
flat angles C4'-P-C4' energy: -73.124
flat angles P-C4'-P energy: -57.959
tors. eta vs tors. theta energy: -35.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -474.382837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.382837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.382837 (E_RNA)
where:
Base-Base interactions energy: -202.111
where: short stacking energy: -141.577
Base-Backbone interact. energy: -0.111
local terms energy: -272.160902
where:
bonds (distance) C4'-P energy: -87.070
bonds (distance) P-C4' energy: -90.501
flat angles C4'-P-C4' energy: -57.958
flat angles P-C4'-P energy: -37.130
tors. eta vs tors. theta energy: 0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -388.521863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.521863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.521863 (E_RNA)
where:
Base-Base interactions energy: -157.985
where: short stacking energy: -122.425
Base-Backbone interact. energy: -1.762
local terms energy: -228.774732
where:
bonds (distance) C4'-P energy: -81.903
bonds (distance) P-C4' energy: -68.205
flat angles C4'-P-C4' energy: -61.160
flat angles P-C4'-P energy: -25.811
tors. eta vs tors. theta energy: 8.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1625.444746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.444746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.444746 (E_RNA)
where:
Base-Base interactions energy: -1097.852
where: short stacking energy: -500.023
Base-Backbone interact. energy: 1.590
local terms energy: -529.182816
where:
bonds (distance) C4'-P energy: -92.721
bonds (distance) P-C4' energy: -114.324
flat angles C4'-P-C4' energy: -117.911
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -131.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1555.669949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.669949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.669949 (E_RNA)
where:
Base-Base interactions energy: -1058.104
where: short stacking energy: -468.336
Base-Backbone interact. energy: -1.054
local terms energy: -496.512272
where:
bonds (distance) C4'-P energy: -100.062
bonds (distance) P-C4' energy: -103.073
flat angles C4'-P-C4' energy: -103.937
flat angles P-C4'-P energy: -64.505
tors. eta vs tors. theta energy: -124.935
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: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1406.928076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.928076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.928076 (E_RNA)
where:
Base-Base interactions energy: -891.184
where: short stacking energy: -430.079
Base-Backbone interact. energy: -0.748
local terms energy: -514.996685
where:
bonds (distance) C4'-P energy: -101.449
bonds (distance) P-C4' energy: -105.575
flat angles C4'-P-C4' energy: -112.804
flat angles P-C4'-P energy: -72.328
tors. eta vs tors. theta energy: -122.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1335.618355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.618355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.618355 (E_RNA)
where:
Base-Base interactions energy: -873.749
where: short stacking energy: -407.677
Base-Backbone interact. energy: -1.244
local terms energy: -460.624835
where:
bonds (distance) C4'-P energy: -91.040
bonds (distance) P-C4' energy: -94.991
flat angles C4'-P-C4' energy: -107.672
flat angles P-C4'-P energy: -69.455
tors. eta vs tors. theta energy: -97.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1300.883989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.883989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.883989 (E_RNA)
where:
Base-Base interactions energy: -854.886
where: short stacking energy: -370.957
Base-Backbone interact. energy: -0.490
local terms energy: -445.507122
where:
bonds (distance) C4'-P energy: -81.790
bonds (distance) P-C4' energy: -98.941
flat angles C4'-P-C4' energy: -97.432
flat angles P-C4'-P energy: -69.103
tors. eta vs tors. theta energy: -98.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1171.072194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.072194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.072194 (E_RNA)
where:
Base-Base interactions energy: -741.807
where: short stacking energy: -346.142
Base-Backbone interact. energy: 2.990
local terms energy: -432.254674
where:
bonds (distance) C4'-P energy: -107.728
bonds (distance) P-C4' energy: -84.969
flat angles C4'-P-C4' energy: -105.127
flat angles P-C4'-P energy: -57.413
tors. eta vs tors. theta energy: -77.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -880.504625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.504625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.504625 (E_RNA)
where:
Base-Base interactions energy: -494.120
where: short stacking energy: -233.710
Base-Backbone interact. energy: -1.111
local terms energy: -385.273194
where:
bonds (distance) C4'-P energy: -96.817
bonds (distance) P-C4' energy: -88.790
flat angles C4'-P-C4' energy: -91.404
flat angles P-C4'-P energy: -55.591
tors. eta vs tors. theta energy: -52.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -794.180089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.180089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.180089 (E_RNA)
where:
Base-Base interactions energy: -463.741
where: short stacking energy: -251.256
Base-Backbone interact. energy: -1.894
local terms energy: -328.545078
where:
bonds (distance) C4'-P energy: -75.096
bonds (distance) P-C4' energy: -93.057
flat angles C4'-P-C4' energy: -72.981
flat angles P-C4'-P energy: -57.295
tors. eta vs tors. theta energy: -30.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -432.590234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.590234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.590234 (E_RNA)
where:
Base-Base interactions energy: -139.536
where: short stacking energy: -104.375
Base-Backbone interact. energy: 4.668
local terms energy: -297.721575
where:
bonds (distance) C4'-P energy: -89.527
bonds (distance) P-C4' energy: -94.962
flat angles C4'-P-C4' energy: -85.318
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: 11.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -404.102756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.102756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.102756 (E_RNA)
where:
Base-Base interactions energy: -144.858
where: short stacking energy: -119.026
Base-Backbone interact. energy: 0.350
local terms energy: -259.595589
where:
bonds (distance) C4'-P energy: -85.572
bonds (distance) P-C4' energy: -89.618
flat angles C4'-P-C4' energy: -71.910
flat angles P-C4'-P energy: -38.477
tors. eta vs tors. theta energy: 25.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1601.077767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.077767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.077767 (E_RNA)
where:
Base-Base interactions energy: -1071.351
where: short stacking energy: -480.093
Base-Backbone interact. energy: -3.582
local terms energy: -526.144564
where:
bonds (distance) C4'-P energy: -91.263
bonds (distance) P-C4' energy: -101.674
flat angles C4'-P-C4' energy: -117.939
flat angles P-C4'-P energy: -76.707
tors. eta vs tors. theta energy: -138.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1545.439457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.439457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.439457 (E_RNA)
where:
Base-Base interactions energy: -1044.882
where: short stacking energy: -472.791
Base-Backbone interact. energy: -1.574
local terms energy: -498.983584
where:
bonds (distance) C4'-P energy: -108.906
bonds (distance) P-C4' energy: -94.242
flat angles C4'-P-C4' energy: -102.635
flat angles P-C4'-P energy: -67.533
tors. eta vs tors. theta energy: -125.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1380.619345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.619345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.619345 (E_RNA)
where:
Base-Base interactions energy: -895.779
where: short stacking energy: -424.027
Base-Backbone interact. energy: 1.577
local terms energy: -486.417583
where:
bonds (distance) C4'-P energy: -105.868
bonds (distance) P-C4' energy: -98.360
flat angles C4'-P-C4' energy: -108.182
flat angles P-C4'-P energy: -65.436
tors. eta vs tors. theta energy: -108.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1332.815847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.815847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.815847 (E_RNA)
where:
Base-Base interactions energy: -869.330
where: short stacking energy: -413.318
Base-Backbone interact. energy: 4.138
local terms energy: -467.624365
where:
bonds (distance) C4'-P energy: -95.755
bonds (distance) P-C4' energy: -89.211
flat angles C4'-P-C4' energy: -108.822
flat angles P-C4'-P energy: -63.849
tors. eta vs tors. theta energy: -109.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1299.290661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.290661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.290661 (E_RNA)
where:
Base-Base interactions energy: -808.689
where: short stacking energy: -366.086
Base-Backbone interact. energy: -0.855
local terms energy: -489.747369
where:
bonds (distance) C4'-P energy: -100.650
bonds (distance) P-C4' energy: -100.609
flat angles C4'-P-C4' energy: -101.341
flat angles P-C4'-P energy: -75.895
tors. eta vs tors. theta energy: -111.251
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: 6, replica: 8
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1125.618381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.618381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.618381 (E_RNA)
where:
Base-Base interactions energy: -730.198
where: short stacking energy: -330.208
Base-Backbone interact. energy: -2.044
local terms energy: -393.377150
where:
bonds (distance) C4'-P energy: -83.435
bonds (distance) P-C4' energy: -93.133
flat angles C4'-P-C4' energy: -93.875
flat angles P-C4'-P energy: -60.616
tors. eta vs tors. theta energy: -62.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -934.585492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.585492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.585492 (E_RNA)
where:
Base-Base interactions energy: -556.618
where: short stacking energy: -276.080
Base-Backbone interact. energy: -1.463
local terms energy: -376.503960
where:
bonds (distance) C4'-P energy: -92.124
bonds (distance) P-C4' energy: -98.419
flat angles C4'-P-C4' energy: -81.171
flat angles P-C4'-P energy: -53.139
tors. eta vs tors. theta energy: -51.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -773.332259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.332259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.332259 (E_RNA)
where:
Base-Base interactions energy: -439.111
where: short stacking energy: -234.045
Base-Backbone interact. energy: -0.152
local terms energy: -334.069638
where:
bonds (distance) C4'-P energy: -86.506
bonds (distance) P-C4' energy: -94.098
flat angles C4'-P-C4' energy: -85.386
flat angles P-C4'-P energy: -49.734
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -434.254067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.254067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.254067 (E_RNA)
where:
Base-Base interactions energy: -139.913
where: short stacking energy: -126.114
Base-Backbone interact. energy: -2.248
local terms energy: -292.092276
where:
bonds (distance) C4'-P energy: -87.357
bonds (distance) P-C4' energy: -99.715
flat angles C4'-P-C4' energy: -74.056
flat angles P-C4'-P energy: -34.972
tors. eta vs tors. theta energy: 4.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -364.879094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.879094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.879094 (E_RNA)
where:
Base-Base interactions energy: -103.870
where: short stacking energy: -78.571
Base-Backbone interact. energy: -3.137
local terms energy: -257.872069
where:
bonds (distance) C4'-P energy: -78.504
bonds (distance) P-C4' energy: -104.507
flat angles C4'-P-C4' energy: -55.244
flat angles P-C4'-P energy: -51.862
tors. eta vs tors. theta energy: 32.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1635.739470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.739470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.739470 (E_RNA)
where:
Base-Base interactions energy: -1096.728
where: short stacking energy: -506.473
Base-Backbone interact. energy: -3.425
local terms energy: -535.586482
where:
bonds (distance) C4'-P energy: -95.669
bonds (distance) P-C4' energy: -97.190
flat angles C4'-P-C4' energy: -117.258
flat angles P-C4'-P energy: -86.546
tors. eta vs tors. theta energy: -138.922
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: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1495.947221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.947221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.947221 (E_RNA)
where:
Base-Base interactions energy: -1005.765
where: short stacking energy: -438.788
Base-Backbone interact. energy: 0.299
local terms energy: -490.481861
where:
bonds (distance) C4'-P energy: -95.113
bonds (distance) P-C4' energy: -95.163
flat angles C4'-P-C4' energy: -105.853
flat angles P-C4'-P energy: -73.956
tors. eta vs tors. theta energy: -120.396
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: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1408.101272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.101272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.101272 (E_RNA)
where:
Base-Base interactions energy: -903.904
where: short stacking energy: -412.418
Base-Backbone interact. energy: 1.292
local terms energy: -505.489255
where:
bonds (distance) C4'-P energy: -102.007
bonds (distance) P-C4' energy: -114.912
flat angles C4'-P-C4' energy: -105.023
flat angles P-C4'-P energy: -74.508
tors. eta vs tors. theta energy: -109.039
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: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1344.826698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.826698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.826698 (E_RNA)
where:
Base-Base interactions energy: -884.950
where: short stacking energy: -409.153
Base-Backbone interact. energy: 1.922
local terms energy: -461.799132
where:
bonds (distance) C4'-P energy: -94.608
bonds (distance) P-C4' energy: -101.458
flat angles C4'-P-C4' energy: -97.797
flat angles P-C4'-P energy: -73.590
tors. eta vs tors. theta energy: -94.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1235.924832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.924832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.924832 (E_RNA)
where:
Base-Base interactions energy: -806.947
where: short stacking energy: -352.721
Base-Backbone interact. energy: -2.335
local terms energy: -426.642990
where:
bonds (distance) C4'-P energy: -95.978
bonds (distance) P-C4' energy: -88.657
flat angles C4'-P-C4' energy: -93.198
flat angles P-C4'-P energy: -48.083
tors. eta vs tors. theta energy: -100.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1178.102313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.102313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.102313 (E_RNA)
where:
Base-Base interactions energy: -768.190
where: short stacking energy: -333.248
Base-Backbone interact. energy: -1.431
local terms energy: -408.481344
where:
bonds (distance) C4'-P energy: -84.359
bonds (distance) P-C4' energy: -97.231
flat angles C4'-P-C4' energy: -95.156
flat angles P-C4'-P energy: -66.430
tors. eta vs tors. theta energy: -65.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -878.414191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.414191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.414191 (E_RNA)
where:
Base-Base interactions energy: -517.311
where: short stacking energy: -246.698
Base-Backbone interact. energy: -0.309
local terms energy: -360.794143
where:
bonds (distance) C4'-P energy: -86.987
bonds (distance) P-C4' energy: -90.507
flat angles C4'-P-C4' energy: -88.406
flat angles P-C4'-P energy: -47.197
tors. eta vs tors. theta energy: -47.697
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: 8, replica: 1
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -746.621078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.621078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.621078 (E_RNA)
where:
Base-Base interactions energy: -427.876
where: short stacking energy: -202.312
Base-Backbone interact. energy: 1.035
local terms energy: -319.780163
where:
bonds (distance) C4'-P energy: -69.128
bonds (distance) P-C4' energy: -106.543
flat angles C4'-P-C4' energy: -83.067
flat angles P-C4'-P energy: -55.445
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -456.127507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.127507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.127507 (E_RNA)
where:
Base-Base interactions energy: -186.558
where: short stacking energy: -134.231
Base-Backbone interact. energy: -0.286
local terms energy: -269.283449
where:
bonds (distance) C4'-P energy: -66.174
bonds (distance) P-C4' energy: -93.285
flat angles C4'-P-C4' energy: -74.581
flat angles P-C4'-P energy: -41.180
tors. eta vs tors. theta energy: 5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -404.155192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.155192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.155192 (E_RNA)
where:
Base-Base interactions energy: -123.437
where: short stacking energy: -115.771
Base-Backbone interact. energy: 0.175
local terms energy: -280.893274
where:
bonds (distance) C4'-P energy: -79.509
bonds (distance) P-C4' energy: -80.461
flat angles C4'-P-C4' energy: -79.031
flat angles P-C4'-P energy: -52.489
tors. eta vs tors. theta energy: 10.596
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: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1612.582166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.582166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.582166 (E_RNA)
where:
Base-Base interactions energy: -1065.109
where: short stacking energy: -494.738
Base-Backbone interact. energy: -1.680
local terms energy: -545.793452
where:
bonds (distance) C4'-P energy: -96.991
bonds (distance) P-C4' energy: -105.022
flat angles C4'-P-C4' energy: -124.555
flat angles P-C4'-P energy: -85.094
tors. eta vs tors. theta energy: -134.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1532.344327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.344327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.344327 (E_RNA)
where:
Base-Base interactions energy: -1004.862
where: short stacking energy: -471.930
Base-Backbone interact. energy: -3.229
local terms energy: -524.253329
where:
bonds (distance) C4'-P energy: -97.776
bonds (distance) P-C4' energy: -104.392
flat angles C4'-P-C4' energy: -103.613
flat angles P-C4'-P energy: -85.346
tors. eta vs tors. theta energy: -133.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1408.924479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.924479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.924479 (E_RNA)
where:
Base-Base interactions energy: -914.479
where: short stacking energy: -430.200
Base-Backbone interact. energy: -2.290
local terms energy: -492.156104
where:
bonds (distance) C4'-P energy: -87.122
bonds (distance) P-C4' energy: -97.324
flat angles C4'-P-C4' energy: -108.045
flat angles P-C4'-P energy: -74.344
tors. eta vs tors. theta energy: -125.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1325.159501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.159501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.159501 (E_RNA)
where:
Base-Base interactions energy: -877.973
where: short stacking energy: -417.012
Base-Backbone interact. energy: 0.450
local terms energy: -447.636097
where:
bonds (distance) C4'-P energy: -91.302
bonds (distance) P-C4' energy: -81.295
flat angles C4'-P-C4' energy: -110.554
flat angles P-C4'-P energy: -65.013
tors. eta vs tors. theta energy: -99.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1267.453837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.453837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.453837 (E_RNA)
where:
Base-Base interactions energy: -819.416
where: short stacking energy: -379.859
Base-Backbone interact. energy: 8.656
local terms energy: -456.693492
where:
bonds (distance) C4'-P energy: -95.505
bonds (distance) P-C4' energy: -108.185
flat angles C4'-P-C4' energy: -101.320
flat angles P-C4'-P energy: -64.167
tors. eta vs tors. theta energy: -87.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1120.294376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.294376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.294376 (E_RNA)
where:
Base-Base interactions energy: -705.414
where: short stacking energy: -311.958
Base-Backbone interact. energy: 0.694
local terms energy: -415.573729
where:
bonds (distance) C4'-P energy: -91.922
bonds (distance) P-C4' energy: -97.821
flat angles C4'-P-C4' energy: -96.872
flat angles P-C4'-P energy: -59.957
tors. eta vs tors. theta energy: -69.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -898.748650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.748650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.748650 (E_RNA)
where:
Base-Base interactions energy: -530.142
where: short stacking energy: -262.232
Base-Backbone interact. energy: 3.013
local terms energy: -371.619773
where:
bonds (distance) C4'-P energy: -80.119
bonds (distance) P-C4' energy: -109.156
flat angles C4'-P-C4' energy: -79.236
flat angles P-C4'-P energy: -67.149
tors. eta vs tors. theta energy: -35.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -730.077952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.077952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.077952 (E_RNA)
where:
Base-Base interactions energy: -395.416
where: short stacking energy: -208.416
Base-Backbone interact. energy: -0.913
local terms energy: -333.749676
where:
bonds (distance) C4'-P energy: -85.679
bonds (distance) P-C4' energy: -86.995
flat angles C4'-P-C4' energy: -86.037
flat angles P-C4'-P energy: -57.005
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -522.647372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.647372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.647372 (E_RNA)
where:
Base-Base interactions energy: -225.736
where: short stacking energy: -163.378
Base-Backbone interact. energy: -0.092
local terms energy: -296.819017
where:
bonds (distance) C4'-P energy: -89.724
bonds (distance) P-C4' energy: -87.027
flat angles C4'-P-C4' energy: -64.508
flat angles P-C4'-P energy: -57.729
tors. eta vs tors. theta energy: 2.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -398.777463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.777463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.777463 (E_RNA)
where:
Base-Base interactions energy: -131.814
where: short stacking energy: -90.452
Base-Backbone interact. energy: -0.006
local terms energy: -266.957444
where:
bonds (distance) C4'-P energy: -83.773
bonds (distance) P-C4' energy: -87.872
flat angles C4'-P-C4' energy: -89.901
flat angles P-C4'-P energy: -32.074
tors. eta vs tors. theta energy: 26.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1599.869162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.869162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.869162 (E_RNA)
where:
Base-Base interactions energy: -1065.519
where: short stacking energy: -496.230
Base-Backbone interact. energy: -0.975
local terms energy: -533.375250
where:
bonds (distance) C4'-P energy: -104.287
bonds (distance) P-C4' energy: -103.368
flat angles C4'-P-C4' energy: -114.175
flat angles P-C4'-P energy: -77.541
tors. eta vs tors. theta energy: -134.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1535.722776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.722776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.722776 (E_RNA)
where:
Base-Base interactions energy: -1041.631
where: short stacking energy: -460.665
Base-Backbone interact. energy: -2.691
local terms energy: -491.400463
where:
bonds (distance) C4'-P energy: -83.427
bonds (distance) P-C4' energy: -97.664
flat angles C4'-P-C4' energy: -115.165
flat angles P-C4'-P energy: -66.100
tors. eta vs tors. theta energy: -129.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1426.005816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.005816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.005816 (E_RNA)
where:
Base-Base interactions energy: -936.482
where: short stacking energy: -430.119
Base-Backbone interact. energy: -1.122
local terms energy: -488.401692
where:
bonds (distance) C4'-P energy: -99.716
bonds (distance) P-C4' energy: -102.345
flat angles C4'-P-C4' energy: -102.441
flat angles P-C4'-P energy: -64.629
tors. eta vs tors. theta energy: -119.269
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: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1332.138351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.138351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.138351 (E_RNA)
where:
Base-Base interactions energy: -877.865
where: short stacking energy: -414.115
Base-Backbone interact. energy: 0.469
local terms energy: -454.742144
where:
bonds (distance) C4'-P energy: -94.555
bonds (distance) P-C4' energy: -90.566
flat angles C4'-P-C4' energy: -93.770
flat angles P-C4'-P energy: -67.959
tors. eta vs tors. theta energy: -107.892
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: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1260.371260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.371260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.371260 (E_RNA)
where:
Base-Base interactions energy: -831.940
where: short stacking energy: -367.640
Base-Backbone interact. energy: -1.071
local terms energy: -427.360198
where:
bonds (distance) C4'-P energy: -97.613
bonds (distance) P-C4' energy: -88.307
flat angles C4'-P-C4' energy: -92.960
flat angles P-C4'-P energy: -58.258
tors. eta vs tors. theta energy: -90.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1125.723288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.723288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.723288 (E_RNA)
where:
Base-Base interactions energy: -713.648
where: short stacking energy: -330.313
Base-Backbone interact. energy: 4.124
local terms energy: -416.199207
where:
bonds (distance) C4'-P energy: -79.399
bonds (distance) P-C4' energy: -104.124
flat angles C4'-P-C4' energy: -84.573
flat angles P-C4'-P energy: -62.734
tors. eta vs tors. theta energy: -85.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -870.519791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.519791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.519791 (E_RNA)
where:
Base-Base interactions energy: -513.797
where: short stacking energy: -247.054
Base-Backbone interact. energy: -1.098
local terms energy: -355.625204
where:
bonds (distance) C4'-P energy: -81.024
bonds (distance) P-C4' energy: -92.173
flat angles C4'-P-C4' energy: -73.833
flat angles P-C4'-P energy: -67.372
tors. eta vs tors. theta energy: -41.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -770.440667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.440667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.440667 (E_RNA)
where:
Base-Base interactions energy: -407.617
where: short stacking energy: -192.917
Base-Backbone interact. energy: -2.940
local terms energy: -359.883443
where:
bonds (distance) C4'-P energy: -88.706
bonds (distance) P-C4' energy: -97.659
flat angles C4'-P-C4' energy: -86.194
flat angles P-C4'-P energy: -62.676
tors. eta vs tors. theta energy: -24.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -479.015596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.015596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.015596 (E_RNA)
where:
Base-Base interactions energy: -200.928
where: short stacking energy: -122.498
Base-Backbone interact. energy: -1.306
local terms energy: -276.781398
where:
bonds (distance) C4'-P energy: -90.495
bonds (distance) P-C4' energy: -99.824
flat angles C4'-P-C4' energy: -67.194
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: 23.752
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: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -372.969891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.969891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.969891 (E_RNA)
where:
Base-Base interactions energy: -119.218
where: short stacking energy: -103.521
Base-Backbone interact. energy: 8.051
local terms energy: -261.803212
where:
bonds (distance) C4'-P energy: -67.967
bonds (distance) P-C4' energy: -79.956
flat angles C4'-P-C4' energy: -78.136
flat angles P-C4'-P energy: -44.148
tors. eta vs tors. theta energy: 8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1606.445994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.445994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.445994 (E_RNA)
where:
Base-Base interactions energy: -1066.971
where: short stacking energy: -510.481
Base-Backbone interact. energy: -1.378
local terms energy: -538.096840
where:
bonds (distance) C4'-P energy: -101.202
bonds (distance) P-C4' energy: -99.447
flat angles C4'-P-C4' energy: -113.814
flat angles P-C4'-P energy: -77.060
tors. eta vs tors. theta energy: -146.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1541.153753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.153753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.153753 (E_RNA)
where:
Base-Base interactions energy: -1036.051
where: short stacking energy: -453.046
Base-Backbone interact. energy: -1.607
local terms energy: -503.496323
where:
bonds (distance) C4'-P energy: -88.573
bonds (distance) P-C4' energy: -103.134
flat angles C4'-P-C4' energy: -110.584
flat angles P-C4'-P energy: -71.215
tors. eta vs tors. theta energy: -129.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1401.081373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.081373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.081373 (E_RNA)
where:
Base-Base interactions energy: -916.091
where: short stacking energy: -420.376
Base-Backbone interact. energy: 1.317
local terms energy: -486.307768
where:
bonds (distance) C4'-P energy: -90.789
bonds (distance) P-C4' energy: -94.983
flat angles C4'-P-C4' energy: -108.212
flat angles P-C4'-P energy: -67.030
tors. eta vs tors. theta energy: -125.295
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: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1320.738169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.738169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.738169 (E_RNA)
where:
Base-Base interactions energy: -838.272
where: short stacking energy: -386.161
Base-Backbone interact. energy: -0.172
local terms energy: -482.294356
where:
bonds (distance) C4'-P energy: -86.836
bonds (distance) P-C4' energy: -102.470
flat angles C4'-P-C4' energy: -106.199
flat angles P-C4'-P energy: -69.150
tors. eta vs tors. theta energy: -117.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1250.383677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.383677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.383677 (E_RNA)
where:
Base-Base interactions energy: -822.715
where: short stacking energy: -378.481
Base-Backbone interact. energy: -1.070
local terms energy: -426.598117
where:
bonds (distance) C4'-P energy: -67.927
bonds (distance) P-C4' energy: -106.025
flat angles C4'-P-C4' energy: -89.775
flat angles P-C4'-P energy: -63.228
tors. eta vs tors. theta energy: -99.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1105.338159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.338159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.338159 (E_RNA)
where:
Base-Base interactions energy: -687.240
where: short stacking energy: -299.763
Base-Backbone interact. energy: 4.697
local terms energy: -422.795654
where:
bonds (distance) C4'-P energy: -92.787
bonds (distance) P-C4' energy: -102.707
flat angles C4'-P-C4' energy: -95.782
flat angles P-C4'-P energy: -55.737
tors. eta vs tors. theta energy: -75.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -925.862115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.862115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.862115 (E_RNA)
where:
Base-Base interactions energy: -585.101
where: short stacking energy: -288.952
Base-Backbone interact. energy: -0.712
local terms energy: -340.048733
where:
bonds (distance) C4'-P energy: -85.588
bonds (distance) P-C4' energy: -79.294
flat angles C4'-P-C4' energy: -88.823
flat angles P-C4'-P energy: -34.532
tors. eta vs tors. theta energy: -51.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -759.504541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.504541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.504541 (E_RNA)
where:
Base-Base interactions energy: -450.335
where: short stacking energy: -252.130
Base-Backbone interact. energy: -0.280
local terms energy: -308.889585
where:
bonds (distance) C4'-P energy: -62.981
bonds (distance) P-C4' energy: -95.143
flat angles C4'-P-C4' energy: -76.181
flat angles P-C4'-P energy: -35.684
tors. eta vs tors. theta energy: -38.900
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: 82
Temperature: 1.300000
Total energy: -483.750959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.750959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.750959 (E_RNA)
where:
Base-Base interactions energy: -166.545
where: short stacking energy: -146.432
Base-Backbone interact. energy: 2.975
local terms energy: -320.180559
where:
bonds (distance) C4'-P energy: -81.890
bonds (distance) P-C4' energy: -91.821
flat angles C4'-P-C4' energy: -105.290
flat angles P-C4'-P energy: -46.304
tors. eta vs tors. theta energy: 5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -415.985875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.985875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.985875 (E_RNA)
where:
Base-Base interactions energy: -161.201
where: short stacking energy: -126.142
Base-Backbone interact. energy: 0.660
local terms energy: -255.444796
where:
bonds (distance) C4'-P energy: -84.464
bonds (distance) P-C4' energy: -78.478
flat angles C4'-P-C4' energy: -61.743
flat angles P-C4'-P energy: -50.335
tors. eta vs tors. theta energy: 19.575
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: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1622.563205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.563205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.563205 (E_RNA)
where:
Base-Base interactions energy: -1075.242
where: short stacking energy: -493.177
Base-Backbone interact. energy: 0.028
local terms energy: -547.348437
where:
bonds (distance) C4'-P energy: -112.896
bonds (distance) P-C4' energy: -103.408
flat angles C4'-P-C4' energy: -103.642
flat angles P-C4'-P energy: -75.325
tors. eta vs tors. theta energy: -152.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1528.396817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.396817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.396817 (E_RNA)
where:
Base-Base interactions energy: -1028.783
where: short stacking energy: -472.487
Base-Backbone interact. energy: -1.055
local terms energy: -498.558709
where:
bonds (distance) C4'-P energy: -93.100
bonds (distance) P-C4' energy: -92.275
flat angles C4'-P-C4' energy: -106.590
flat angles P-C4'-P energy: -77.474
tors. eta vs tors. theta energy: -129.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1403.175413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.175413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.175413 (E_RNA)
where:
Base-Base interactions energy: -929.820
where: short stacking energy: -428.632
Base-Backbone interact. energy: 3.356
local terms energy: -476.710927
where:
bonds (distance) C4'-P energy: -90.187
bonds (distance) P-C4' energy: -88.435
flat angles C4'-P-C4' energy: -108.266
flat angles P-C4'-P energy: -70.826
tors. eta vs tors. theta energy: -118.998
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: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1301.064427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.064427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.064427 (E_RNA)
where:
Base-Base interactions energy: -850.103
where: short stacking energy: -392.027
Base-Backbone interact. energy: -3.994
local terms energy: -446.967368
where:
bonds (distance) C4'-P energy: -87.801
bonds (distance) P-C4' energy: -103.038
flat angles C4'-P-C4' energy: -99.317
flat angles P-C4'-P energy: -58.536
tors. eta vs tors. theta energy: -98.275
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: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1276.229148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.229148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.229148 (E_RNA)
where:
Base-Base interactions energy: -825.646
where: short stacking energy: -387.552
Base-Backbone interact. energy: 0.149
local terms energy: -450.731842
where:
bonds (distance) C4'-P energy: -100.698
bonds (distance) P-C4' energy: -94.215
flat angles C4'-P-C4' energy: -100.401
flat angles P-C4'-P energy: -54.863
tors. eta vs tors. theta energy: -100.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1154.874591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.874591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.874591 (E_RNA)
where:
Base-Base interactions energy: -728.498
where: short stacking energy: -348.228
Base-Backbone interact. energy: 0.211
local terms energy: -426.587148
where:
bonds (distance) C4'-P energy: -97.826
bonds (distance) P-C4' energy: -89.697
flat angles C4'-P-C4' energy: -99.537
flat angles P-C4'-P energy: -55.636
tors. eta vs tors. theta energy: -83.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -952.973020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.973020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.973020 (E_RNA)
where:
Base-Base interactions energy: -569.484
where: short stacking energy: -282.882
Base-Backbone interact. energy: 0.348
local terms energy: -383.837567
where:
bonds (distance) C4'-P energy: -89.016
bonds (distance) P-C4' energy: -95.892
flat angles C4'-P-C4' energy: -87.037
flat angles P-C4'-P energy: -55.031
tors. eta vs tors. theta energy: -56.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -792.280038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.280038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.280038 (E_RNA)
where:
Base-Base interactions energy: -441.090
where: short stacking energy: -243.270
Base-Backbone interact. energy: -1.061
local terms energy: -350.129607
where:
bonds (distance) C4'-P energy: -80.989
bonds (distance) P-C4' energy: -89.891
flat angles C4'-P-C4' energy: -75.221
flat angles P-C4'-P energy: -64.337
tors. eta vs tors. theta energy: -39.690
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: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -430.370060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.370060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.370060 (E_RNA)
where:
Base-Base interactions energy: -139.743
where: short stacking energy: -125.100
Base-Backbone interact. energy: 0.712
local terms energy: -291.338298
where:
bonds (distance) C4'-P energy: -72.625
bonds (distance) P-C4' energy: -94.506
flat angles C4'-P-C4' energy: -87.736
flat angles P-C4'-P energy: -45.329
tors. eta vs tors. theta energy: 8.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -383.957031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.957031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.957031 (E_RNA)
where:
Base-Base interactions energy: -109.022
where: short stacking energy: -94.593
Base-Backbone interact. energy: -0.299
local terms energy: -274.635135
where:
bonds (distance) C4'-P energy: -77.420
bonds (distance) P-C4' energy: -97.494
flat angles C4'-P-C4' energy: -79.213
flat angles P-C4'-P energy: -38.530
tors. eta vs tors. theta energy: 18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1620.296327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.296327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.296327 (E_RNA)
where:
Base-Base interactions energy: -1092.288
where: short stacking energy: -472.565
Base-Backbone interact. energy: 0.935
local terms energy: -528.942820
where:
bonds (distance) C4'-P energy: -99.208
bonds (distance) P-C4' energy: -108.070
flat angles C4'-P-C4' energy: -111.647
flat angles P-C4'-P energy: -74.940
tors. eta vs tors. theta energy: -135.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1530.018853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.018853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.018853 (E_RNA)
where:
Base-Base interactions energy: -1035.055
where: short stacking energy: -482.631
Base-Backbone interact. energy: -1.200
local terms energy: -493.764315
where:
bonds (distance) C4'-P energy: -85.693
bonds (distance) P-C4' energy: -105.001
flat angles C4'-P-C4' energy: -115.925
flat angles P-C4'-P energy: -55.194
tors. eta vs tors. theta energy: -131.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1439.089350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.089350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.089350 (E_RNA)
where:
Base-Base interactions energy: -946.250
where: short stacking energy: -450.986
Base-Backbone interact. energy: 1.637
local terms energy: -494.476566
where:
bonds (distance) C4'-P energy: -85.671
bonds (distance) P-C4' energy: -92.094
flat angles C4'-P-C4' energy: -117.253
flat angles P-C4'-P energy: -76.034
tors. eta vs tors. theta energy: -123.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1325.068141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.068141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.068141 (E_RNA)
where:
Base-Base interactions energy: -857.121
where: short stacking energy: -397.422
Base-Backbone interact. energy: -1.031
local terms energy: -466.916150
where:
bonds (distance) C4'-P energy: -91.684
bonds (distance) P-C4' energy: -98.493
flat angles C4'-P-C4' energy: -105.616
flat angles P-C4'-P energy: -71.061
tors. eta vs tors. theta energy: -100.062
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: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1303.889276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.889276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.889276 (E_RNA)
where:
Base-Base interactions energy: -819.256
where: short stacking energy: -365.869
Base-Backbone interact. energy: -1.963
local terms energy: -482.669672
where:
bonds (distance) C4'-P energy: -92.911
bonds (distance) P-C4' energy: -109.472
flat angles C4'-P-C4' energy: -100.496
flat angles P-C4'-P energy: -71.734
tors. eta vs tors. theta energy: -108.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1202.456004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.456004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.456004 (E_RNA)
where:
Base-Base interactions energy: -754.717
where: short stacking energy: -375.371
Base-Backbone interact. energy: -1.365
local terms energy: -446.374238
where:
bonds (distance) C4'-P energy: -93.481
bonds (distance) P-C4' energy: -100.828
flat angles C4'-P-C4' energy: -93.190
flat angles P-C4'-P energy: -65.565
tors. eta vs tors. theta energy: -93.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -931.927700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.927700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.927700 (E_RNA)
where:
Base-Base interactions energy: -569.697
where: short stacking energy: -268.439
Base-Backbone interact. energy: -2.539
local terms energy: -359.691594
where:
bonds (distance) C4'-P energy: -89.154
bonds (distance) P-C4' energy: -80.643
flat angles C4'-P-C4' energy: -90.871
flat angles P-C4'-P energy: -52.717
tors. eta vs tors. theta energy: -46.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -763.196868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.196868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.196868 (E_RNA)
where:
Base-Base interactions energy: -413.960
where: short stacking energy: -207.992
Base-Backbone interact. energy: 0.587
local terms energy: -349.822978
where:
bonds (distance) C4'-P energy: -86.758
bonds (distance) P-C4' energy: -100.705
flat angles C4'-P-C4' energy: -90.044
flat angles P-C4'-P energy: -46.957
tors. eta vs tors. theta energy: -25.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -410.119137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.119137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.119137 (E_RNA)
where:
Base-Base interactions energy: -142.600
where: short stacking energy: -116.231
Base-Backbone interact. energy: 5.619
local terms energy: -273.138083
where:
bonds (distance) C4'-P energy: -92.805
bonds (distance) P-C4' energy: -93.970
flat angles C4'-P-C4' energy: -64.315
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: 20.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -385.920103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.920103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.920103 (E_RNA)
where:
Base-Base interactions energy: -112.546
where: short stacking energy: -88.946
Base-Backbone interact. energy: 2.712
local terms energy: -276.086238
where:
bonds (distance) C4'-P energy: -92.344
bonds (distance) P-C4' energy: -78.383
flat angles C4'-P-C4' energy: -72.152
flat angles P-C4'-P energy: -50.353
tors. eta vs tors. theta energy: 17.146
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: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1632.062116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.062116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.062116 (E_RNA)
where:
Base-Base interactions energy: -1089.560
where: short stacking energy: -474.008
Base-Backbone interact. energy: -1.141
local terms energy: -541.360434
where:
bonds (distance) C4'-P energy: -109.129
bonds (distance) P-C4' energy: -103.158
flat angles C4'-P-C4' energy: -107.163
flat angles P-C4'-P energy: -78.330
tors. eta vs tors. theta energy: -143.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1544.248110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.248110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.248110 (E_RNA)
where:
Base-Base interactions energy: -1016.865
where: short stacking energy: -473.628
Base-Backbone interact. energy: -3.828
local terms energy: -523.554706
where:
bonds (distance) C4'-P energy: -93.051
bonds (distance) P-C4' energy: -115.007
flat angles C4'-P-C4' energy: -112.076
flat angles P-C4'-P energy: -73.401
tors. eta vs tors. theta energy: -130.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1442.274454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.274454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.274454 (E_RNA)
where:
Base-Base interactions energy: -944.912
where: short stacking energy: -445.583
Base-Backbone interact. energy: -1.717
local terms energy: -495.645700
where:
bonds (distance) C4'-P energy: -89.806
bonds (distance) P-C4' energy: -108.328
flat angles C4'-P-C4' energy: -103.146
flat angles P-C4'-P energy: -64.926
tors. eta vs tors. theta energy: -129.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1321.043250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.043250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.043250 (E_RNA)
where:
Base-Base interactions energy: -844.496
where: short stacking energy: -387.068
Base-Backbone interact. energy: -2.382
local terms energy: -474.165263
where:
bonds (distance) C4'-P energy: -92.976
bonds (distance) P-C4' energy: -98.514
flat angles C4'-P-C4' energy: -112.324
flat angles P-C4'-P energy: -64.739
tors. eta vs tors. theta energy: -105.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1294.995665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.995665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.995665 (E_RNA)
where:
Base-Base interactions energy: -845.613
where: short stacking energy: -386.573
Base-Backbone interact. energy: -1.557
local terms energy: -447.825813
where:
bonds (distance) C4'-P energy: -98.317
bonds (distance) P-C4' energy: -84.916
flat angles C4'-P-C4' energy: -95.935
flat angles P-C4'-P energy: -63.653
tors. eta vs tors. theta energy: -105.004
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: 6, replica: 8
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1150.565755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.565755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.565755 (E_RNA)
where:
Base-Base interactions energy: -757.816
where: short stacking energy: -334.088
Base-Backbone interact. energy: -3.250
local terms energy: -389.500037
where:
bonds (distance) C4'-P energy: -86.160
bonds (distance) P-C4' energy: -92.045
flat angles C4'-P-C4' energy: -89.156
flat angles P-C4'-P energy: -50.461
tors. eta vs tors. theta energy: -71.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -937.541845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.541845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.541845 (E_RNA)
where:
Base-Base interactions energy: -550.988
where: short stacking energy: -270.326
Base-Backbone interact. energy: 2.488
local terms energy: -389.042245
where:
bonds (distance) C4'-P energy: -72.119
bonds (distance) P-C4' energy: -112.866
flat angles C4'-P-C4' energy: -83.885
flat angles P-C4'-P energy: -52.748
tors. eta vs tors. theta energy: -67.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -813.062221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.062221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.062221 (E_RNA)
where:
Base-Base interactions energy: -464.460
where: short stacking energy: -233.411
Base-Backbone interact. energy: -2.208
local terms energy: -346.394027
where:
bonds (distance) C4'-P energy: -92.473
bonds (distance) P-C4' energy: -94.068
flat angles C4'-P-C4' energy: -80.048
flat angles P-C4'-P energy: -48.320
tors. eta vs tors. theta energy: -31.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -431.974336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.974336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.974336 (E_RNA)
where:
Base-Base interactions energy: -142.615
where: short stacking energy: -108.604
Base-Backbone interact. energy: -1.123
local terms energy: -288.236576
where:
bonds (distance) C4'-P energy: -83.762
bonds (distance) P-C4' energy: -91.362
flat angles C4'-P-C4' energy: -73.150
flat angles P-C4'-P energy: -60.104
tors. eta vs tors. theta energy: 20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -386.321269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.321269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.321269 (E_RNA)
where:
Base-Base interactions energy: -128.305
where: short stacking energy: -88.059
Base-Backbone interact. energy: -2.504
local terms energy: -255.512087
where:
bonds (distance) C4'-P energy: -83.224
bonds (distance) P-C4' energy: -78.006
flat angles C4'-P-C4' energy: -65.325
flat angles P-C4'-P energy: -53.946
tors. eta vs tors. theta energy: 24.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1615.680202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.680202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.680202 (E_RNA)
where:
Base-Base interactions energy: -1060.876
where: short stacking energy: -474.577
Base-Backbone interact. energy: -0.747
local terms energy: -554.057013
where:
bonds (distance) C4'-P energy: -104.332
bonds (distance) P-C4' energy: -108.167
flat angles C4'-P-C4' energy: -118.930
flat angles P-C4'-P energy: -82.923
tors. eta vs tors. theta energy: -139.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1533.387947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.387947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.387947 (E_RNA)
where:
Base-Base interactions energy: -1033.597
where: short stacking energy: -454.561
Base-Backbone interact. energy: 1.214
local terms energy: -501.004858
where:
bonds (distance) C4'-P energy: -93.004
bonds (distance) P-C4' energy: -101.632
flat angles C4'-P-C4' energy: -106.656
flat angles P-C4'-P energy: -69.944
tors. eta vs tors. theta energy: -129.769
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: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1388.231926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.231926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.231926 (E_RNA)
where:
Base-Base interactions energy: -896.318
where: short stacking energy: -431.628
Base-Backbone interact. energy: -1.668
local terms energy: -490.245862
where:
bonds (distance) C4'-P energy: -93.022
bonds (distance) P-C4' energy: -102.639
flat angles C4'-P-C4' energy: -107.495
flat angles P-C4'-P energy: -64.091
tors. eta vs tors. theta energy: -122.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1375.088616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.088616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.088616 (E_RNA)
where:
Base-Base interactions energy: -898.574
where: short stacking energy: -402.884
Base-Backbone interact. energy: -0.197
local terms energy: -476.318287
where:
bonds (distance) C4'-P energy: -99.011
bonds (distance) P-C4' energy: -90.625
flat angles C4'-P-C4' energy: -106.521
flat angles P-C4'-P energy: -73.666
tors. eta vs tors. theta energy: -106.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1278.567055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.567055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.567055 (E_RNA)
where:
Base-Base interactions energy: -825.727
where: short stacking energy: -380.091
Base-Backbone interact. energy: -1.346
local terms energy: -451.494747
where:
bonds (distance) C4'-P energy: -91.614
bonds (distance) P-C4' energy: -89.475
flat angles C4'-P-C4' energy: -99.938
flat angles P-C4'-P energy: -55.919
tors. eta vs tors. theta energy: -114.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1132.953155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.953155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.953155 (E_RNA)
where:
Base-Base interactions energy: -734.583
where: short stacking energy: -327.412
Base-Backbone interact. energy: -2.010
local terms energy: -396.359611
where:
bonds (distance) C4'-P energy: -97.524
bonds (distance) P-C4' energy: -89.833
flat angles C4'-P-C4' energy: -82.325
flat angles P-C4'-P energy: -48.117
tors. eta vs tors. theta energy: -78.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -936.246676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.246676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.246676 (E_RNA)
where:
Base-Base interactions energy: -552.922
where: short stacking energy: -260.809
Base-Backbone interact. energy: -0.664
local terms energy: -382.661054
where:
bonds (distance) C4'-P energy: -87.600
bonds (distance) P-C4' energy: -93.454
flat angles C4'-P-C4' energy: -86.539
flat angles P-C4'-P energy: -62.065
tors. eta vs tors. theta energy: -53.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -760.865327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.865327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.865327 (E_RNA)
where:
Base-Base interactions energy: -453.365
where: short stacking energy: -229.647
Base-Backbone interact. energy: -3.503
local terms energy: -303.996600
where:
bonds (distance) C4'-P energy: -51.099
bonds (distance) P-C4' energy: -89.476
flat angles C4'-P-C4' energy: -86.616
flat angles P-C4'-P energy: -43.988
tors. eta vs tors. theta energy: -32.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -536.811872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.811872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.811872 (E_RNA)
where:
Base-Base interactions energy: -255.894
where: short stacking energy: -165.909
Base-Backbone interact. energy: -2.157
local terms energy: -278.760946
where:
bonds (distance) C4'-P energy: -76.988
bonds (distance) P-C4' energy: -90.067
flat angles C4'-P-C4' energy: -64.033
flat angles P-C4'-P energy: -32.499
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: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -450.868680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.868680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.868680 (E_RNA)
where:
Base-Base interactions energy: -166.878
where: short stacking energy: -118.213
Base-Backbone interact. energy: -1.614
local terms energy: -282.376749
where:
bonds (distance) C4'-P energy: -92.440
bonds (distance) P-C4' energy: -84.651
flat angles C4'-P-C4' energy: -74.558
flat angles P-C4'-P energy: -47.668
tors. eta vs tors. theta energy: 16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1627.437756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.437756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.437756 (E_RNA)
where:
Base-Base interactions energy: -1108.262
where: short stacking energy: -523.399
Base-Backbone interact. energy: -0.032
local terms energy: -519.143307
where:
bonds (distance) C4'-P energy: -93.351
bonds (distance) P-C4' energy: -94.966
flat angles C4'-P-C4' energy: -114.194
flat angles P-C4'-P energy: -73.765
tors. eta vs tors. theta energy: -142.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1563.424488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.424488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.424488 (E_RNA)
where:
Base-Base interactions energy: -1066.600
where: short stacking energy: -463.050
Base-Backbone interact. energy: -2.990
local terms energy: -493.834380
where:
bonds (distance) C4'-P energy: -89.864
bonds (distance) P-C4' energy: -96.731
flat angles C4'-P-C4' energy: -101.176
flat angles P-C4'-P energy: -68.805
tors. eta vs tors. theta energy: -137.258
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: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1373.758699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.758699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.758699 (E_RNA)
where:
Base-Base interactions energy: -887.497
where: short stacking energy: -403.801
Base-Backbone interact. energy: -0.419
local terms energy: -485.841923
where:
bonds (distance) C4'-P energy: -90.759
bonds (distance) P-C4' energy: -105.345
flat angles C4'-P-C4' energy: -112.168
flat angles P-C4'-P energy: -66.991
tors. eta vs tors. theta energy: -110.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1325.953515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.953515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.953515 (E_RNA)
where:
Base-Base interactions energy: -839.441
where: short stacking energy: -373.242
Base-Backbone interact. energy: -2.494
local terms energy: -484.019159
where:
bonds (distance) C4'-P energy: -108.630
bonds (distance) P-C4' energy: -97.754
flat angles C4'-P-C4' energy: -87.979
flat angles P-C4'-P energy: -80.768
tors. eta vs tors. theta energy: -108.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1295.572089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.572089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.572089 (E_RNA)
where:
Base-Base interactions energy: -819.377
where: short stacking energy: -364.249
Base-Backbone interact. energy: -0.522
local terms energy: -475.673572
where:
bonds (distance) C4'-P energy: -99.075
bonds (distance) P-C4' energy: -101.206
flat angles C4'-P-C4' energy: -104.544
flat angles P-C4'-P energy: -66.118
tors. eta vs tors. theta energy: -104.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1141.790204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.790204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.790204 (E_RNA)
where:
Base-Base interactions energy: -721.051
where: short stacking energy: -342.860
Base-Backbone interact. energy: 1.240
local terms energy: -421.978866
where:
bonds (distance) C4'-P energy: -90.773
bonds (distance) P-C4' energy: -91.412
flat angles C4'-P-C4' energy: -91.788
flat angles P-C4'-P energy: -54.257
tors. eta vs tors. theta energy: -93.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -891.602294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.602294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.602294 (E_RNA)
where:
Base-Base interactions energy: -519.892
where: short stacking energy: -228.552
Base-Backbone interact. energy: -0.774
local terms energy: -370.935584
where:
bonds (distance) C4'-P energy: -82.964
bonds (distance) P-C4' energy: -100.669
flat angles C4'-P-C4' energy: -93.157
flat angles P-C4'-P energy: -60.894
tors. eta vs tors. theta energy: -33.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -747.171347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.171347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.171347 (E_RNA)
where:
Base-Base interactions energy: -398.375
where: short stacking energy: -228.658
Base-Backbone interact. energy: 0.423
local terms energy: -349.219128
where:
bonds (distance) C4'-P energy: -70.115
bonds (distance) P-C4' energy: -98.778
flat angles C4'-P-C4' energy: -85.178
flat angles P-C4'-P energy: -47.368
tors. eta vs tors. theta energy: -47.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -503.966990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.966990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.966990 (E_RNA)
where:
Base-Base interactions energy: -192.138
where: short stacking energy: -128.827
Base-Backbone interact. energy: 4.813
local terms energy: -316.642193
where:
bonds (distance) C4'-P energy: -88.896
bonds (distance) P-C4' energy: -83.565
flat angles C4'-P-C4' energy: -80.469
flat angles P-C4'-P energy: -59.676
tors. eta vs tors. theta energy: -4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -433.380188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.380188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.380188 (E_RNA)
where:
Base-Base interactions energy: -163.699
where: short stacking energy: -107.486
Base-Backbone interact. energy: -0.989
local terms energy: -268.692577
where:
bonds (distance) C4'-P energy: -83.499
bonds (distance) P-C4' energy: -77.746
flat angles C4'-P-C4' energy: -59.070
flat angles P-C4'-P energy: -57.422
tors. eta vs tors. theta energy: 9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1663.511295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.511295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.511295 (E_RNA)
where:
Base-Base interactions energy: -1116.916
where: short stacking energy: -523.291
Base-Backbone interact. energy: -3.466
local terms energy: -543.129591
where:
bonds (distance) C4'-P energy: -102.856
bonds (distance) P-C4' energy: -95.742
flat angles C4'-P-C4' energy: -119.936
flat angles P-C4'-P energy: -77.660
tors. eta vs tors. theta energy: -146.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1536.891615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.891615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.891615 (E_RNA)
where:
Base-Base interactions energy: -1022.344
where: short stacking energy: -447.795
Base-Backbone interact. energy: -3.354
local terms energy: -511.193019
where:
bonds (distance) C4'-P energy: -106.105
bonds (distance) P-C4' energy: -95.545
flat angles C4'-P-C4' energy: -112.778
flat angles P-C4'-P energy: -69.211
tors. eta vs tors. theta energy: -127.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1379.152164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.152164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.152164 (E_RNA)
where:
Base-Base interactions energy: -898.888
where: short stacking energy: -437.476
Base-Backbone interact. energy: -3.015
local terms energy: -477.249708
where:
bonds (distance) C4'-P energy: -100.267
bonds (distance) P-C4' energy: -89.687
flat angles C4'-P-C4' energy: -102.623
flat angles P-C4'-P energy: -65.544
tors. eta vs tors. theta energy: -119.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1347.105302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.105302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.105302 (E_RNA)
where:
Base-Base interactions energy: -891.543
where: short stacking energy: -388.308
Base-Backbone interact. energy: -3.572
local terms energy: -451.990463
where:
bonds (distance) C4'-P energy: -97.838
bonds (distance) P-C4' energy: -88.709
flat angles C4'-P-C4' energy: -100.733
flat angles P-C4'-P energy: -59.642
tors. eta vs tors. theta energy: -105.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1314.144037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.144037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.144037 (E_RNA)
where:
Base-Base interactions energy: -854.480
where: short stacking energy: -388.731
Base-Backbone interact. energy: -2.384
local terms energy: -457.280261
where:
bonds (distance) C4'-P energy: -84.035
bonds (distance) P-C4' energy: -92.386
flat angles C4'-P-C4' energy: -104.308
flat angles P-C4'-P energy: -69.668
tors. eta vs tors. theta energy: -106.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1149.174214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.174214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.174214 (E_RNA)
where:
Base-Base interactions energy: -724.858
where: short stacking energy: -327.847
Base-Backbone interact. energy: 2.223
local terms energy: -426.539981
where:
bonds (distance) C4'-P energy: -90.344
bonds (distance) P-C4' energy: -88.993
flat angles C4'-P-C4' energy: -101.537
flat angles P-C4'-P energy: -70.048
tors. eta vs tors. theta energy: -75.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -866.052623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.052623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.052623 (E_RNA)
where:
Base-Base interactions energy: -500.752
where: short stacking energy: -238.299
Base-Backbone interact. energy: -2.294
local terms energy: -363.006238
where:
bonds (distance) C4'-P energy: -85.642
bonds (distance) P-C4' energy: -96.744
flat angles C4'-P-C4' energy: -78.606
flat angles P-C4'-P energy: -66.640
tors. eta vs tors. theta energy: -35.374
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: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -748.857729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.857729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.857729 (E_RNA)
where:
Base-Base interactions energy: -421.817
where: short stacking energy: -220.149
Base-Backbone interact. energy: -0.982
local terms energy: -327.959786
where:
bonds (distance) C4'-P energy: -99.871
bonds (distance) P-C4' energy: -92.182
flat angles C4'-P-C4' energy: -68.297
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -22.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.900 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -515.833499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.833499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.833499 (E_RNA)
where:
Base-Base interactions energy: -219.493
where: short stacking energy: -133.929
Base-Backbone interact. energy: -0.109
local terms energy: -296.231170
where:
bonds (distance) C4'-P energy: -78.033
bonds (distance) P-C4' energy: -99.786
flat angles C4'-P-C4' energy: -67.172
flat angles P-C4'-P energy: -53.906
tors. eta vs tors. theta energy: 2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -447.305978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.305978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.305978 (E_RNA)
where:
Base-Base interactions energy: -159.297
where: short stacking energy: -111.177
Base-Backbone interact. energy: 2.974
local terms energy: -290.983215
where:
bonds (distance) C4'-P energy: -75.835
bonds (distance) P-C4' energy: -103.180
flat angles C4'-P-C4' energy: -74.570
flat angles P-C4'-P energy: -47.014
tors. eta vs tors. theta energy: 9.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1644.799599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.799599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.799599 (E_RNA)
where:
Base-Base interactions energy: -1097.424
where: short stacking energy: -514.253
Base-Backbone interact. energy: -2.539
local terms energy: -544.837016
where:
bonds (distance) C4'-P energy: -113.922
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -113.397
flat angles P-C4'-P energy: -61.721
tors. eta vs tors. theta energy: -144.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1501.849477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.849477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.849477 (E_RNA)
where:
Base-Base interactions energy: -995.044
where: short stacking energy: -449.068
Base-Backbone interact. energy: -1.025
local terms energy: -505.780186
where:
bonds (distance) C4'-P energy: -95.908
bonds (distance) P-C4' energy: -101.611
flat angles C4'-P-C4' energy: -116.470
flat angles P-C4'-P energy: -67.756
tors. eta vs tors. theta energy: -124.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1408.098698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.098698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.098698 (E_RNA)
where:
Base-Base interactions energy: -895.308
where: short stacking energy: -435.220
Base-Backbone interact. energy: -3.237
local terms energy: -509.553784
where:
bonds (distance) C4'-P energy: -94.574
bonds (distance) P-C4' energy: -108.546
flat angles C4'-P-C4' energy: -113.793
flat angles P-C4'-P energy: -76.816
tors. eta vs tors. theta energy: -115.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1345.703488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.703488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.703488 (E_RNA)
where:
Base-Base interactions energy: -890.759
where: short stacking energy: -400.581
Base-Backbone interact. energy: 0.189
local terms energy: -455.133262
where:
bonds (distance) C4'-P energy: -88.790
bonds (distance) P-C4' energy: -101.571
flat angles C4'-P-C4' energy: -97.631
flat angles P-C4'-P energy: -66.389
tors. eta vs tors. theta energy: -100.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1230.450537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.450537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.450537 (E_RNA)
where:
Base-Base interactions energy: -808.416
where: short stacking energy: -366.384
Base-Backbone interact. energy: -1.893
local terms energy: -420.141759
where:
bonds (distance) C4'-P energy: -84.287
bonds (distance) P-C4' energy: -98.166
flat angles C4'-P-C4' energy: -87.509
flat angles P-C4'-P energy: -55.633
tors. eta vs tors. theta energy: -94.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1205.604265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.604265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.604265 (E_RNA)
where:
Base-Base interactions energy: -775.817
where: short stacking energy: -343.244
Base-Backbone interact. energy: -2.209
local terms energy: -427.578547
where:
bonds (distance) C4'-P energy: -95.548
bonds (distance) P-C4' energy: -95.430
flat angles C4'-P-C4' energy: -95.554
flat angles P-C4'-P energy: -56.092
tors. eta vs tors. theta energy: -84.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -851.137947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.137947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.137947 (E_RNA)
where:
Base-Base interactions energy: -506.627
where: short stacking energy: -231.044
Base-Backbone interact. energy: 1.474
local terms energy: -345.985100
where:
bonds (distance) C4'-P energy: -86.033
bonds (distance) P-C4' energy: -92.054
flat angles C4'-P-C4' energy: -65.057
flat angles P-C4'-P energy: -53.452
tors. eta vs tors. theta energy: -49.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -778.849684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.849684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.849684 (E_RNA)
where:
Base-Base interactions energy: -453.367
where: short stacking energy: -233.773
Base-Backbone interact. energy: 0.008
local terms energy: -325.491025
where:
bonds (distance) C4'-P energy: -76.580
bonds (distance) P-C4' energy: -90.123
flat angles C4'-P-C4' energy: -93.300
flat angles P-C4'-P energy: -50.336
tors. eta vs tors. theta energy: -15.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -509.906106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.906106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.906106 (E_RNA)
where:
Base-Base interactions energy: -216.220
where: short stacking energy: -133.392
Base-Backbone interact. energy: 0.007
local terms energy: -293.693150
where:
bonds (distance) C4'-P energy: -79.975
bonds (distance) P-C4' energy: -76.822
flat angles C4'-P-C4' energy: -77.253
flat angles P-C4'-P energy: -59.782
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -444.943509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.943509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.943509 (E_RNA)
where:
Base-Base interactions energy: -172.541
where: short stacking energy: -114.146
Base-Backbone interact. energy: 5.325
local terms energy: -277.727831
where:
bonds (distance) C4'-P energy: -91.701
bonds (distance) P-C4' energy: -87.100
flat angles C4'-P-C4' energy: -68.253
flat angles P-C4'-P energy: -53.035
tors. eta vs tors. theta energy: 22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1637.306945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.306945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.306945 (E_RNA)
where:
Base-Base interactions energy: -1109.009
where: short stacking energy: -497.029
Base-Backbone interact. energy: 4.094
local terms energy: -532.391053
where:
bonds (distance) C4'-P energy: -102.875
bonds (distance) P-C4' energy: -109.338
flat angles C4'-P-C4' energy: -108.553
flat angles P-C4'-P energy: -67.177
tors. eta vs tors. theta energy: -144.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1515.992338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.992338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.992338 (E_RNA)
where:
Base-Base interactions energy: -989.025
where: short stacking energy: -451.926
Base-Backbone interact. energy: -1.156
local terms energy: -525.811781
where:
bonds (distance) C4'-P energy: -97.924
bonds (distance) P-C4' energy: -114.692
flat angles C4'-P-C4' energy: -106.132
flat angles P-C4'-P energy: -81.911
tors. eta vs tors. theta energy: -125.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1398.622970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.622970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.622970 (E_RNA)
where:
Base-Base interactions energy: -928.978
where: short stacking energy: -413.249
Base-Backbone interact. energy: -2.083
local terms energy: -467.562139
where:
bonds (distance) C4'-P energy: -83.783
bonds (distance) P-C4' energy: -91.386
flat angles C4'-P-C4' energy: -103.390
flat angles P-C4'-P energy: -80.036
tors. eta vs tors. theta energy: -108.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1380.462036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.462036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.462036 (E_RNA)
where:
Base-Base interactions energy: -895.488
where: short stacking energy: -418.866
Base-Backbone interact. energy: 0.047
local terms energy: -485.021192
where:
bonds (distance) C4'-P energy: -88.139
bonds (distance) P-C4' energy: -105.736
flat angles C4'-P-C4' energy: -96.970
flat angles P-C4'-P energy: -65.535
tors. eta vs tors. theta energy: -128.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1225.779715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.779715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.779715 (E_RNA)
where:
Base-Base interactions energy: -783.721
where: short stacking energy: -358.968
Base-Backbone interact. energy: -2.664
local terms energy: -439.395270
where:
bonds (distance) C4'-P energy: -92.729
bonds (distance) P-C4' energy: -99.658
flat angles C4'-P-C4' energy: -100.866
flat angles P-C4'-P energy: -57.817
tors. eta vs tors. theta energy: -88.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1168.702549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.702549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.702549 (E_RNA)
where:
Base-Base interactions energy: -746.292
where: short stacking energy: -331.368
Base-Backbone interact. energy: -1.585
local terms energy: -420.825470
where:
bonds (distance) C4'-P energy: -90.244
bonds (distance) P-C4' energy: -87.774
flat angles C4'-P-C4' energy: -105.141
flat angles P-C4'-P energy: -49.052
tors. eta vs tors. theta energy: -88.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -830.391962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.391962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.391962 (E_RNA)
where:
Base-Base interactions energy: -473.502
where: short stacking energy: -271.479
Base-Backbone interact. energy: -1.094
local terms energy: -355.795026
where:
bonds (distance) C4'-P energy: -83.800
bonds (distance) P-C4' energy: -87.097
flat angles C4'-P-C4' energy: -86.982
flat angles P-C4'-P energy: -49.975
tors. eta vs tors. theta energy: -47.941
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: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -799.690346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.690346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.690346 (E_RNA)
where:
Base-Base interactions energy: -485.058
where: short stacking energy: -231.337
Base-Backbone interact. energy: -1.576
local terms energy: -313.056319
where:
bonds (distance) C4'-P energy: -74.707
bonds (distance) P-C4' energy: -80.148
flat angles C4'-P-C4' energy: -70.871
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -50.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -497.488435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.488435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.488435 (E_RNA)
where:
Base-Base interactions energy: -220.109
where: short stacking energy: -152.875
Base-Backbone interact. energy: -0.075
local terms energy: -277.305072
where:
bonds (distance) C4'-P energy: -93.441
bonds (distance) P-C4' energy: -97.605
flat angles C4'-P-C4' energy: -49.337
flat angles P-C4'-P energy: -37.149
tors. eta vs tors. theta energy: 0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -485.073609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.073609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.073609 (E_RNA)
where:
Base-Base interactions energy: -209.929
where: short stacking energy: -135.725
Base-Backbone interact. energy: 0.124
local terms energy: -275.268291
where:
bonds (distance) C4'-P energy: -81.997
bonds (distance) P-C4' energy: -85.535
flat angles C4'-P-C4' energy: -79.760
flat angles P-C4'-P energy: -32.222
tors. eta vs tors. theta energy: 4.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1617.796420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.796420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.796420 (E_RNA)
where:
Base-Base interactions energy: -1071.502
where: short stacking energy: -471.862
Base-Backbone interact. energy: -1.123
local terms energy: -545.171431
where:
bonds (distance) C4'-P energy: -96.339
bonds (distance) P-C4' energy: -119.412
flat angles C4'-P-C4' energy: -120.570
flat angles P-C4'-P energy: -76.874
tors. eta vs tors. theta energy: -131.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1538.592947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.592947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.592947 (E_RNA)
where:
Base-Base interactions energy: -1014.612
where: short stacking energy: -488.837
Base-Backbone interact. energy: -2.454
local terms energy: -521.526781
where:
bonds (distance) C4'-P energy: -102.976
bonds (distance) P-C4' energy: -101.992
flat angles C4'-P-C4' energy: -110.359
flat angles P-C4'-P energy: -73.397
tors. eta vs tors. theta energy: -132.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1421.787416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.787416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.787416 (E_RNA)
where:
Base-Base interactions energy: -946.492
where: short stacking energy: -443.832
Base-Backbone interact. energy: -3.896
local terms energy: -471.399665
where:
bonds (distance) C4'-P energy: -98.753
bonds (distance) P-C4' energy: -102.964
flat angles C4'-P-C4' energy: -97.229
flat angles P-C4'-P energy: -55.161
tors. eta vs tors. theta energy: -117.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1364.892363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.892363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.892363 (E_RNA)
where:
Base-Base interactions energy: -888.247
where: short stacking energy: -413.626
Base-Backbone interact. energy: -2.583
local terms energy: -474.061635
where:
bonds (distance) C4'-P energy: -97.826
bonds (distance) P-C4' energy: -94.204
flat angles C4'-P-C4' energy: -96.025
flat angles P-C4'-P energy: -66.456
tors. eta vs tors. theta energy: -119.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1248.417920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.417920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.417920 (E_RNA)
where:
Base-Base interactions energy: -812.123
where: short stacking energy: -372.267
Base-Backbone interact. energy: -0.008
local terms energy: -436.287655
where:
bonds (distance) C4'-P energy: -96.118
bonds (distance) P-C4' energy: -77.521
flat angles C4'-P-C4' energy: -107.013
flat angles P-C4'-P energy: -70.700
tors. eta vs tors. theta energy: -84.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1069.894703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.894703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.894703 (E_RNA)
where:
Base-Base interactions energy: -675.825
where: short stacking energy: -307.987
Base-Backbone interact. energy: -5.770
local terms energy: -388.300020
where:
bonds (distance) C4'-P energy: -96.256
bonds (distance) P-C4' energy: -98.182
flat angles C4'-P-C4' energy: -91.932
flat angles P-C4'-P energy: -35.579
tors. eta vs tors. theta energy: -66.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -856.763399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.763399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.763399 (E_RNA)
where:
Base-Base interactions energy: -473.548
where: short stacking energy: -253.431
Base-Backbone interact. energy: -0.814
local terms energy: -382.401669
where:
bonds (distance) C4'-P energy: -85.520
bonds (distance) P-C4' energy: -99.851
flat angles C4'-P-C4' energy: -81.936
flat angles P-C4'-P energy: -58.519
tors. eta vs tors. theta energy: -56.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -751.945553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.945553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.945553 (E_RNA)
where:
Base-Base interactions energy: -444.863
where: short stacking energy: -221.369
Base-Backbone interact. energy: -4.308
local terms energy: -302.774058
where:
bonds (distance) C4'-P energy: -84.353
bonds (distance) P-C4' energy: -90.483
flat angles C4'-P-C4' energy: -68.271
flat angles P-C4'-P energy: -38.168
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -513.487006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.487006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.487006 (E_RNA)
where:
Base-Base interactions energy: -214.955
where: short stacking energy: -143.727
Base-Backbone interact. energy: -2.513
local terms energy: -296.018783
where:
bonds (distance) C4'-P energy: -85.393
bonds (distance) P-C4' energy: -87.892
flat angles C4'-P-C4' energy: -70.542
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -5.764
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: 91
Temperature: 1.350000
Total energy: -518.535992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.535992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.535992 (E_RNA)
where:
Base-Base interactions energy: -237.659
where: short stacking energy: -137.465
Base-Backbone interact. energy: -0.813
local terms energy: -280.063833
where:
bonds (distance) C4'-P energy: -68.730
bonds (distance) P-C4' energy: -96.784
flat angles C4'-P-C4' energy: -63.650
flat angles P-C4'-P energy: -44.886
tors. eta vs tors. theta energy: -6.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1641.181538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.181538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.181538 (E_RNA)
where:
Base-Base interactions energy: -1084.905
where: short stacking energy: -478.322
Base-Backbone interact. energy: -1.693
local terms energy: -554.583614
where:
bonds (distance) C4'-P energy: -107.463
bonds (distance) P-C4' energy: -112.814
flat angles C4'-P-C4' energy: -112.306
flat angles P-C4'-P energy: -83.798
tors. eta vs tors. theta energy: -138.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1512.503490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.503490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.503490 (E_RNA)
where:
Base-Base interactions energy: -997.477
where: short stacking energy: -485.300
Base-Backbone interact. energy: -2.363
local terms energy: -512.662858
where:
bonds (distance) C4'-P energy: -99.475
bonds (distance) P-C4' energy: -98.925
flat angles C4'-P-C4' energy: -110.119
flat angles P-C4'-P energy: -65.896
tors. eta vs tors. theta energy: -138.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1382.846684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.846684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.846684 (E_RNA)
where:
Base-Base interactions energy: -887.781
where: short stacking energy: -412.172
Base-Backbone interact. energy: 0.191
local terms energy: -495.256854
where:
bonds (distance) C4'-P energy: -86.519
bonds (distance) P-C4' energy: -98.529
flat angles C4'-P-C4' energy: -110.868
flat angles P-C4'-P energy: -80.606
tors. eta vs tors. theta energy: -118.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1347.664570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.664570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.664570 (E_RNA)
where:
Base-Base interactions energy: -853.499
where: short stacking energy: -394.659
Base-Backbone interact. energy: -0.080
local terms energy: -494.086542
where:
bonds (distance) C4'-P energy: -99.643
bonds (distance) P-C4' energy: -107.857
flat angles C4'-P-C4' energy: -109.417
flat angles P-C4'-P energy: -70.342
tors. eta vs tors. theta energy: -106.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1240.551709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.551709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.551709 (E_RNA)
where:
Base-Base interactions energy: -793.775
where: short stacking energy: -367.993
Base-Backbone interact. energy: -1.353
local terms energy: -445.423396
where:
bonds (distance) C4'-P energy: -84.182
bonds (distance) P-C4' energy: -91.663
flat angles C4'-P-C4' energy: -92.645
flat angles P-C4'-P energy: -71.711
tors. eta vs tors. theta energy: -105.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1121.876722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.876722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.876722 (E_RNA)
where:
Base-Base interactions energy: -696.621
where: short stacking energy: -317.687
Base-Backbone interact. energy: -2.296
local terms energy: -422.959458
where:
bonds (distance) C4'-P energy: -103.190
bonds (distance) P-C4' energy: -91.757
flat angles C4'-P-C4' energy: -81.711
flat angles P-C4'-P energy: -61.701
tors. eta vs tors. theta energy: -84.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -920.671493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.671493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.671493 (E_RNA)
where:
Base-Base interactions energy: -546.933
where: short stacking energy: -289.741
Base-Backbone interact. energy: -2.015
local terms energy: -371.723957
where:
bonds (distance) C4'-P energy: -74.198
bonds (distance) P-C4' energy: -96.332
flat angles C4'-P-C4' energy: -89.797
flat angles P-C4'-P energy: -49.070
tors. eta vs tors. theta energy: -62.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -648.501131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.501131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.501131 (E_RNA)
where:
Base-Base interactions energy: -323.889
where: short stacking energy: -182.952
Base-Backbone interact. energy: -2.559
local terms energy: -322.053208
where:
bonds (distance) C4'-P energy: -84.978
bonds (distance) P-C4' energy: -99.983
flat angles C4'-P-C4' energy: -86.194
flat angles P-C4'-P energy: -45.053
tors. eta vs tors. theta energy: -5.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -515.112076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.112076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.112076 (E_RNA)
where:
Base-Base interactions energy: -218.088
where: short stacking energy: -153.608
Base-Backbone interact. energy: -2.037
local terms energy: -294.986791
where:
bonds (distance) C4'-P energy: -73.549
bonds (distance) P-C4' energy: -90.713
flat angles C4'-P-C4' energy: -80.020
flat angles P-C4'-P energy: -56.418
tors. eta vs tors. theta energy: 5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -536.880864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.880864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.880864 (E_RNA)
where:
Base-Base interactions energy: -272.410
where: short stacking energy: -140.502
Base-Backbone interact. energy: -0.151
local terms energy: -264.319656
where:
bonds (distance) C4'-P energy: -58.842
bonds (distance) P-C4' energy: -91.082
flat angles C4'-P-C4' energy: -65.295
flat angles P-C4'-P energy: -53.816
tors. eta vs tors. theta energy: 4.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1635.571992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.571992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.571992 (E_RNA)
where:
Base-Base interactions energy: -1105.499
where: short stacking energy: -495.801
Base-Backbone interact. energy: 0.102
local terms energy: -530.175136
where:
bonds (distance) C4'-P energy: -89.736
bonds (distance) P-C4' energy: -99.000
flat angles C4'-P-C4' energy: -123.331
flat angles P-C4'-P energy: -74.837
tors. eta vs tors. theta energy: -143.271
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: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1557.605023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.605023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.605023 (E_RNA)
where:
Base-Base interactions energy: -1009.532
where: short stacking energy: -473.802
Base-Backbone interact. energy: -2.334
local terms energy: -545.739716
where:
bonds (distance) C4'-P energy: -112.643
bonds (distance) P-C4' energy: -106.190
flat angles C4'-P-C4' energy: -112.014
flat angles P-C4'-P energy: -71.280
tors. eta vs tors. theta energy: -143.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1361.192898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.192898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.192898 (E_RNA)
where:
Base-Base interactions energy: -897.085
where: short stacking energy: -422.115
Base-Backbone interact. energy: -0.520
local terms energy: -463.587793
where:
bonds (distance) C4'-P energy: -87.492
bonds (distance) P-C4' energy: -104.131
flat angles C4'-P-C4' energy: -99.249
flat angles P-C4'-P energy: -60.111
tors. eta vs tors. theta energy: -112.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1378.407529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.407529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.407529 (E_RNA)
where:
Base-Base interactions energy: -903.305
where: short stacking energy: -425.095
Base-Backbone interact. energy: -2.716
local terms energy: -472.386236
where:
bonds (distance) C4'-P energy: -94.973
bonds (distance) P-C4' energy: -95.540
flat angles C4'-P-C4' energy: -104.489
flat angles P-C4'-P energy: -63.414
tors. eta vs tors. theta energy: -113.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1209.883830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.883830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.883830 (E_RNA)
where:
Base-Base interactions energy: -780.442
where: short stacking energy: -356.799
Base-Backbone interact. energy: -0.585
local terms energy: -428.856600
where:
bonds (distance) C4'-P energy: -92.851
bonds (distance) P-C4' energy: -94.479
flat angles C4'-P-C4' energy: -94.202
flat angles P-C4'-P energy: -56.541
tors. eta vs tors. theta energy: -90.783
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: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1172.513167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.513167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.513167 (E_RNA)
where:
Base-Base interactions energy: -747.814
where: short stacking energy: -337.644
Base-Backbone interact. energy: -0.178
local terms energy: -424.521639
where:
bonds (distance) C4'-P energy: -90.362
bonds (distance) P-C4' energy: -91.339
flat angles C4'-P-C4' energy: -101.251
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -90.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -928.704249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.704249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.704249 (E_RNA)
where:
Base-Base interactions energy: -562.737
where: short stacking energy: -310.573
Base-Backbone interact. energy: -1.188
local terms energy: -364.778737
where:
bonds (distance) C4'-P energy: -79.817
bonds (distance) P-C4' energy: -82.715
flat angles C4'-P-C4' energy: -92.699
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -61.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -658.002340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.002340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.002340 (E_RNA)
where:
Base-Base interactions energy: -335.524
where: short stacking energy: -182.933
Base-Backbone interact. energy: -2.753
local terms energy: -319.725186
where:
bonds (distance) C4'-P energy: -94.368
bonds (distance) P-C4' energy: -93.647
flat angles C4'-P-C4' energy: -69.134
flat angles P-C4'-P energy: -48.158
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -509.554868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.554868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.554868 (E_RNA)
where:
Base-Base interactions energy: -213.090
where: short stacking energy: -149.975
Base-Backbone interact. energy: -0.310
local terms energy: -296.155084
where:
bonds (distance) C4'-P energy: -90.364
bonds (distance) P-C4' energy: -64.487
flat angles C4'-P-C4' energy: -77.640
flat angles P-C4'-P energy: -58.965
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -532.057777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.057777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.057777 (E_RNA)
where:
Base-Base interactions energy: -258.594
where: short stacking energy: -130.874
Base-Backbone interact. energy: -1.072
local terms energy: -272.390945
where:
bonds (distance) C4'-P energy: -78.796
bonds (distance) P-C4' energy: -91.196
flat angles C4'-P-C4' energy: -68.416
flat angles P-C4'-P energy: -38.068
tors. eta vs tors. theta energy: 4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1636.603685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.603685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.603685 (E_RNA)
where:
Base-Base interactions energy: -1071.389
where: short stacking energy: -494.411
Base-Backbone interact. energy: -1.713
local terms energy: -563.501523
where:
bonds (distance) C4'-P energy: -96.422
bonds (distance) P-C4' energy: -112.549
flat angles C4'-P-C4' energy: -125.179
flat angles P-C4'-P energy: -85.108
tors. eta vs tors. theta energy: -144.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1511.445026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.445026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.445026 (E_RNA)
where:
Base-Base interactions energy: -998.446
where: short stacking energy: -455.787
Base-Backbone interact. energy: -1.291
local terms energy: -511.708001
where:
bonds (distance) C4'-P energy: -90.586
bonds (distance) P-C4' energy: -109.510
flat angles C4'-P-C4' energy: -109.513
flat angles P-C4'-P energy: -69.008
tors. eta vs tors. theta energy: -133.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1367.703477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.703477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.703477 (E_RNA)
where:
Base-Base interactions energy: -922.476
where: short stacking energy: -401.413
Base-Backbone interact. energy: 0.251
local terms energy: -445.478245
where:
bonds (distance) C4'-P energy: -95.561
bonds (distance) P-C4' energy: -93.286
flat angles C4'-P-C4' energy: -98.882
flat angles P-C4'-P energy: -62.365
tors. eta vs tors. theta energy: -95.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1387.447803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.447803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.447803 (E_RNA)
where:
Base-Base interactions energy: -895.996
where: short stacking energy: -417.210
Base-Backbone interact. energy: -3.218
local terms energy: -488.234399
where:
bonds (distance) C4'-P energy: -84.820
bonds (distance) P-C4' energy: -111.085
flat angles C4'-P-C4' energy: -112.594
flat angles P-C4'-P energy: -66.912
tors. eta vs tors. theta energy: -112.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1216.583099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.583099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.583099 (E_RNA)
where:
Base-Base interactions energy: -778.518
where: short stacking energy: -328.068
Base-Backbone interact. energy: 2.868
local terms energy: -440.933119
where:
bonds (distance) C4'-P energy: -88.833
bonds (distance) P-C4' energy: -93.689
flat angles C4'-P-C4' energy: -114.831
flat angles P-C4'-P energy: -64.539
tors. eta vs tors. theta energy: -79.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1129.147690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.147690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.147690 (E_RNA)
where:
Base-Base interactions energy: -710.219
where: short stacking energy: -342.015
Base-Backbone interact. energy: -0.870
local terms energy: -418.058707
where:
bonds (distance) C4'-P energy: -98.471
bonds (distance) P-C4' energy: -98.901
flat angles C4'-P-C4' energy: -83.460
flat angles P-C4'-P energy: -53.646
tors. eta vs tors. theta energy: -83.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -869.758445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.758445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.758445 (E_RNA)
where:
Base-Base interactions energy: -508.192
where: short stacking energy: -257.071
Base-Backbone interact. energy: -1.033
local terms energy: -360.532892
where:
bonds (distance) C4'-P energy: -79.373
bonds (distance) P-C4' energy: -98.069
flat angles C4'-P-C4' energy: -85.909
flat angles P-C4'-P energy: -57.894
tors. eta vs tors. theta energy: -39.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -633.869624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.869624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.869624 (E_RNA)
where:
Base-Base interactions energy: -326.799
where: short stacking energy: -214.973
Base-Backbone interact. energy: -0.723
local terms energy: -306.347696
where:
bonds (distance) C4'-P energy: -81.896
bonds (distance) P-C4' energy: -75.446
flat angles C4'-P-C4' energy: -86.513
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -642.564631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.564631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.564631 (E_RNA)
where:
Base-Base interactions energy: -326.222
where: short stacking energy: -179.158
Base-Backbone interact. energy: 3.731
local terms energy: -320.073596
where:
bonds (distance) C4'-P energy: -88.013
bonds (distance) P-C4' energy: -84.222
flat angles C4'-P-C4' energy: -88.499
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -565.347197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.347197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.347197 (E_RNA)
where:
Base-Base interactions energy: -274.711
where: short stacking energy: -127.716
Base-Backbone interact. energy: -1.289
local terms energy: -289.346877
where:
bonds (distance) C4'-P energy: -66.535
bonds (distance) P-C4' energy: -88.033
flat angles C4'-P-C4' energy: -77.646
flat angles P-C4'-P energy: -45.318
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1637.979177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.979177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.979177 (E_RNA)
where:
Base-Base interactions energy: -1102.690
where: short stacking energy: -485.479
Base-Backbone interact. energy: -2.211
local terms energy: -533.078075
where:
bonds (distance) C4'-P energy: -104.728
bonds (distance) P-C4' energy: -102.619
flat angles C4'-P-C4' energy: -115.429
flat angles P-C4'-P energy: -73.142
tors. eta vs tors. theta energy: -137.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1534.134488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.134488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.134488 (E_RNA)
where:
Base-Base interactions energy: -1040.681
where: short stacking energy: -460.274
Base-Backbone interact. energy: -1.567
local terms energy: -491.886474
where:
bonds (distance) C4'-P energy: -100.283
bonds (distance) P-C4' energy: -91.378
flat angles C4'-P-C4' energy: -108.554
flat angles P-C4'-P energy: -54.667
tors. eta vs tors. theta energy: -137.004
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: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1417.131706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.131706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.131706 (E_RNA)
where:
Base-Base interactions energy: -922.870
where: short stacking energy: -413.542
Base-Backbone interact. energy: -2.173
local terms energy: -492.089101
where:
bonds (distance) C4'-P energy: -100.404
bonds (distance) P-C4' energy: -99.608
flat angles C4'-P-C4' energy: -102.387
flat angles P-C4'-P energy: -64.590
tors. eta vs tors. theta energy: -125.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1411.845657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.845657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.845657 (E_RNA)
where:
Base-Base interactions energy: -938.319
where: short stacking energy: -439.017
Base-Backbone interact. energy: -1.320
local terms energy: -472.206254
where:
bonds (distance) C4'-P energy: -86.058
bonds (distance) P-C4' energy: -87.739
flat angles C4'-P-C4' energy: -102.534
flat angles P-C4'-P energy: -72.568
tors. eta vs tors. theta energy: -123.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1225.927358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.927358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.927358 (E_RNA)
where:
Base-Base interactions energy: -780.156
where: short stacking energy: -345.026
Base-Backbone interact. energy: -1.554
local terms energy: -444.217399
where:
bonds (distance) C4'-P energy: -102.505
bonds (distance) P-C4' energy: -102.349
flat angles C4'-P-C4' energy: -99.335
flat angles P-C4'-P energy: -56.683
tors. eta vs tors. theta energy: -83.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1112.421503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.421503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.421503 (E_RNA)
where:
Base-Base interactions energy: -706.119
where: short stacking energy: -370.567
Base-Backbone interact. energy: -2.175
local terms energy: -404.128149
where:
bonds (distance) C4'-P energy: -70.022
bonds (distance) P-C4' energy: -87.288
flat angles C4'-P-C4' energy: -108.547
flat angles P-C4'-P energy: -52.516
tors. eta vs tors. theta energy: -85.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -861.154742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.154742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.154742 (E_RNA)
where:
Base-Base interactions energy: -505.185
where: short stacking energy: -253.966
Base-Backbone interact. energy: -2.124
local terms energy: -353.845626
where:
bonds (distance) C4'-P energy: -87.307
bonds (distance) P-C4' energy: -96.894
flat angles C4'-P-C4' energy: -88.557
flat angles P-C4'-P energy: -43.843
tors. eta vs tors. theta energy: -37.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -630.577138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.577138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.577138 (E_RNA)
where:
Base-Base interactions energy: -319.926
where: short stacking energy: -190.602
Base-Backbone interact. energy: -1.079
local terms energy: -309.572076
where:
bonds (distance) C4'-P energy: -71.636
bonds (distance) P-C4' energy: -96.243
flat angles C4'-P-C4' energy: -65.660
flat angles P-C4'-P energy: -53.237
tors. eta vs tors. theta energy: -22.796
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: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -555.390788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.390788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.390788 (E_RNA)
where:
Base-Base interactions energy: -230.451
where: short stacking energy: -144.507
Base-Backbone interact. energy: 5.081
local terms energy: -330.020557
where:
bonds (distance) C4'-P energy: -89.195
bonds (distance) P-C4' energy: -92.292
flat angles C4'-P-C4' energy: -88.053
flat angles P-C4'-P energy: -54.483
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -538.967850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.967850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.967850 (E_RNA)
where:
Base-Base interactions energy: -247.375
where: short stacking energy: -146.731
Base-Backbone interact. energy: 4.533
local terms energy: -296.126037
where:
bonds (distance) C4'-P energy: -73.565
bonds (distance) P-C4' energy: -88.754
flat angles C4'-P-C4' energy: -83.266
flat angles P-C4'-P energy: -46.322
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1639.087829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.087829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.087829 (E_RNA)
where:
Base-Base interactions energy: -1077.983
where: short stacking energy: -487.099
Base-Backbone interact. energy: 2.851
local terms energy: -563.955733
where:
bonds (distance) C4'-P energy: -110.134
bonds (distance) P-C4' energy: -112.756
flat angles C4'-P-C4' energy: -125.576
flat angles P-C4'-P energy: -78.248
tors. eta vs tors. theta energy: -137.242
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: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1523.353910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.353910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.353910 (E_RNA)
where:
Base-Base interactions energy: -1026.352
where: short stacking energy: -471.532
Base-Backbone interact. energy: 3.281
local terms energy: -500.283082
where:
bonds (distance) C4'-P energy: -99.687
bonds (distance) P-C4' energy: -100.705
flat angles C4'-P-C4' energy: -100.365
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -129.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1436.681954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.681954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.681954 (E_RNA)
where:
Base-Base interactions energy: -935.410
where: short stacking energy: -443.639
Base-Backbone interact. energy: -0.474
local terms energy: -500.797701
where:
bonds (distance) C4'-P energy: -97.778
bonds (distance) P-C4' energy: -102.380
flat angles C4'-P-C4' energy: -98.653
flat angles P-C4'-P energy: -73.371
tors. eta vs tors. theta energy: -128.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1383.540547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.540547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.540547 (E_RNA)
where:
Base-Base interactions energy: -898.790
where: short stacking energy: -417.259
Base-Backbone interact. energy: 0.536
local terms energy: -485.285933
where:
bonds (distance) C4'-P energy: -85.785
bonds (distance) P-C4' energy: -85.706
flat angles C4'-P-C4' energy: -112.483
flat angles P-C4'-P energy: -76.192
tors. eta vs tors. theta energy: -125.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1213.846766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.846766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.846766 (E_RNA)
where:
Base-Base interactions energy: -802.018
where: short stacking energy: -355.424
Base-Backbone interact. energy: -0.790
local terms energy: -411.039084
where:
bonds (distance) C4'-P energy: -82.813
bonds (distance) P-C4' energy: -87.872
flat angles C4'-P-C4' energy: -99.045
flat angles P-C4'-P energy: -62.036
tors. eta vs tors. theta energy: -79.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1172.675098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.675098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.675098 (E_RNA)
where:
Base-Base interactions energy: -747.007
where: short stacking energy: -360.196
Base-Backbone interact. energy: -0.755
local terms energy: -424.913197
where:
bonds (distance) C4'-P energy: -85.588
bonds (distance) P-C4' energy: -88.481
flat angles C4'-P-C4' energy: -95.043
flat angles P-C4'-P energy: -62.010
tors. eta vs tors. theta energy: -93.792
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: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -849.232928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.232928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.232928 (E_RNA)
where:
Base-Base interactions energy: -481.060
where: short stacking energy: -236.943
Base-Backbone interact. energy: 0.001
local terms energy: -368.174383
where:
bonds (distance) C4'-P energy: -89.631
bonds (distance) P-C4' energy: -91.203
flat angles C4'-P-C4' energy: -90.379
flat angles P-C4'-P energy: -53.690
tors. eta vs tors. theta energy: -43.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -650.277605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.277605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.277605 (E_RNA)
where:
Base-Base interactions energy: -357.134
where: short stacking energy: -208.434
Base-Backbone interact. energy: -2.352
local terms energy: -290.790740
where:
bonds (distance) C4'-P energy: -82.075
bonds (distance) P-C4' energy: -67.095
flat angles C4'-P-C4' energy: -75.501
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -548.769472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.769472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.769472 (E_RNA)
where:
Base-Base interactions energy: -248.225
where: short stacking energy: -138.534
Base-Backbone interact. energy: 0.480
local terms energy: -301.024289
where:
bonds (distance) C4'-P energy: -97.968
bonds (distance) P-C4' energy: -71.144
flat angles C4'-P-C4' energy: -93.705
flat angles P-C4'-P energy: -53.286
tors. eta vs tors. theta energy: 15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -486.662772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.662772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.662772 (E_RNA)
where:
Base-Base interactions energy: -229.682
where: short stacking energy: -158.421
Base-Backbone interact. energy: 4.063
local terms energy: -261.043839
where:
bonds (distance) C4'-P energy: -83.720
bonds (distance) P-C4' energy: -85.906
flat angles C4'-P-C4' energy: -72.064
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: 7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1660.281903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.281903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.281903 (E_RNA)
where:
Base-Base interactions energy: -1101.005
where: short stacking energy: -491.493
Base-Backbone interact. energy: -0.842
local terms energy: -558.435257
where:
bonds (distance) C4'-P energy: -104.928
bonds (distance) P-C4' energy: -109.669
flat angles C4'-P-C4' energy: -117.646
flat angles P-C4'-P energy: -78.606
tors. eta vs tors. theta energy: -147.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1546.685560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.685560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.685560 (E_RNA)
where:
Base-Base interactions energy: -1035.578
where: short stacking energy: -465.800
Base-Backbone interact. energy: -0.505
local terms energy: -510.602190
where:
bonds (distance) C4'-P energy: -106.315
bonds (distance) P-C4' energy: -107.982
flat angles C4'-P-C4' energy: -102.366
flat angles P-C4'-P energy: -59.874
tors. eta vs tors. theta energy: -134.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1430.104394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.104394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.104394 (E_RNA)
where:
Base-Base interactions energy: -932.147
where: short stacking energy: -417.871
Base-Backbone interact. energy: -0.169
local terms energy: -497.788691
where:
bonds (distance) C4'-P energy: -81.571
bonds (distance) P-C4' energy: -110.662
flat angles C4'-P-C4' energy: -107.469
flat angles P-C4'-P energy: -74.457
tors. eta vs tors. theta energy: -123.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1405.986690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.986690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.986690 (E_RNA)
where:
Base-Base interactions energy: -940.429
where: short stacking energy: -428.679
Base-Backbone interact. energy: 0.697
local terms energy: -466.254644
where:
bonds (distance) C4'-P energy: -84.086
bonds (distance) P-C4' energy: -88.976
flat angles C4'-P-C4' energy: -113.564
flat angles P-C4'-P energy: -75.108
tors. eta vs tors. theta energy: -104.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1254.255282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.255282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.255282 (E_RNA)
where:
Base-Base interactions energy: -819.479
where: short stacking energy: -390.316
Base-Backbone interact. energy: -4.785
local terms energy: -429.990523
where:
bonds (distance) C4'-P energy: -68.865
bonds (distance) P-C4' energy: -100.495
flat angles C4'-P-C4' energy: -93.258
flat angles P-C4'-P energy: -70.574
tors. eta vs tors. theta energy: -96.799
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: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1152.343934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.343934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.343934 (E_RNA)
where:
Base-Base interactions energy: -729.712
where: short stacking energy: -336.067
Base-Backbone interact. energy: 0.064
local terms energy: -422.695633
where:
bonds (distance) C4'-P energy: -87.061
bonds (distance) P-C4' energy: -90.862
flat angles C4'-P-C4' energy: -103.217
flat angles P-C4'-P energy: -61.043
tors. eta vs tors. theta energy: -80.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -907.736320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.736320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.736320 (E_RNA)
where:
Base-Base interactions energy: -530.088
where: short stacking energy: -281.215
Base-Backbone interact. energy: -1.132
local terms energy: -376.516424
where:
bonds (distance) C4'-P energy: -75.028
bonds (distance) P-C4' energy: -88.638
flat angles C4'-P-C4' energy: -93.604
flat angles P-C4'-P energy: -55.302
tors. eta vs tors. theta energy: -63.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -656.232331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.232331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.232331 (E_RNA)
where:
Base-Base interactions energy: -329.396
where: short stacking energy: -178.549
Base-Backbone interact. energy: -1.472
local terms energy: -325.363914
where:
bonds (distance) C4'-P energy: -90.404
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -83.102
flat angles P-C4'-P energy: -39.883
tors. eta vs tors. theta energy: -28.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -515.151157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.151157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.151157 (E_RNA)
where:
Base-Base interactions energy: -242.462
where: short stacking energy: -142.239
Base-Backbone interact. energy: 0.557
local terms energy: -274.577067
where:
bonds (distance) C4'-P energy: -73.114
bonds (distance) P-C4' energy: -84.004
flat angles C4'-P-C4' energy: -77.836
flat angles P-C4'-P energy: -54.292
tors. eta vs tors. theta energy: 14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.330 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -453.652975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.652975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.652975 (E_RNA)
where:
Base-Base interactions energy: -169.728
where: short stacking energy: -116.133
Base-Backbone interact. energy: -2.363
local terms energy: -281.561083
where:
bonds (distance) C4'-P energy: -85.079
bonds (distance) P-C4' energy: -81.482
flat angles C4'-P-C4' energy: -77.790
flat angles P-C4'-P energy: -46.816
tors. eta vs tors. theta energy: 9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1648.850407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.850407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.850407 (E_RNA)
where:
Base-Base interactions energy: -1142.679
where: short stacking energy: -479.257
Base-Backbone interact. energy: -1.464
local terms energy: -504.707786
where:
bonds (distance) C4'-P energy: -89.441
bonds (distance) P-C4' energy: -102.670
flat angles C4'-P-C4' energy: -116.349
flat angles P-C4'-P energy: -73.154
tors. eta vs tors. theta energy: -123.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1556.751431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.751431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.751431 (E_RNA)
where:
Base-Base interactions energy: -1021.634
where: short stacking energy: -470.224
Base-Backbone interact. energy: -2.952
local terms energy: -532.165259
where:
bonds (distance) C4'-P energy: -107.327
bonds (distance) P-C4' energy: -104.509
flat angles C4'-P-C4' energy: -111.449
flat angles P-C4'-P energy: -65.149
tors. eta vs tors. theta energy: -143.731
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: 6
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1419.229396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.229396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.229396 (E_RNA)
where:
Base-Base interactions energy: -933.539
where: short stacking energy: -444.512
Base-Backbone interact. energy: -0.734
local terms energy: -484.956652
where:
bonds (distance) C4'-P energy: -97.308
bonds (distance) P-C4' energy: -95.746
flat angles C4'-P-C4' energy: -101.141
flat angles P-C4'-P energy: -73.334
tors. eta vs tors. theta energy: -117.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1423.484852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.484852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.484852 (E_RNA)
where:
Base-Base interactions energy: -924.581
where: short stacking energy: -422.672
Base-Backbone interact. energy: -0.898
local terms energy: -498.006459
where:
bonds (distance) C4'-P energy: -82.034
bonds (distance) P-C4' energy: -112.745
flat angles C4'-P-C4' energy: -111.558
flat angles P-C4'-P energy: -70.519
tors. eta vs tors. theta energy: -121.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1303.315670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.315670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.315670 (E_RNA)
where:
Base-Base interactions energy: -862.452
where: short stacking energy: -379.917
Base-Backbone interact. energy: -0.300
local terms energy: -440.564004
where:
bonds (distance) C4'-P energy: -81.463
bonds (distance) P-C4' energy: -95.853
flat angles C4'-P-C4' energy: -94.022
flat angles P-C4'-P energy: -61.580
tors. eta vs tors. theta energy: -107.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1087.666881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.666881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.666881 (E_RNA)
where:
Base-Base interactions energy: -663.617
where: short stacking energy: -303.866
Base-Backbone interact. energy: -2.752
local terms energy: -421.297690
where:
bonds (distance) C4'-P energy: -96.387
bonds (distance) P-C4' energy: -98.931
flat angles C4'-P-C4' energy: -83.477
flat angles P-C4'-P energy: -69.545
tors. eta vs tors. theta energy: -72.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -866.076174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.076174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.076174 (E_RNA)
where:
Base-Base interactions energy: -493.449
where: short stacking energy: -261.003
Base-Backbone interact. energy: 1.454
local terms energy: -374.081665
where:
bonds (distance) C4'-P energy: -88.259
bonds (distance) P-C4' energy: -79.110
flat angles C4'-P-C4' energy: -90.490
flat angles P-C4'-P energy: -63.013
tors. eta vs tors. theta energy: -53.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -667.975346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.975346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.975346 (E_RNA)
where:
Base-Base interactions energy: -353.588
where: short stacking energy: -199.239
Base-Backbone interact. energy: 1.319
local terms energy: -315.706061
where:
bonds (distance) C4'-P energy: -76.736
bonds (distance) P-C4' energy: -101.225
flat angles C4'-P-C4' energy: -70.311
flat angles P-C4'-P energy: -43.569
tors. eta vs tors. theta energy: -23.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -503.434012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.434012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.434012 (E_RNA)
where:
Base-Base interactions energy: -243.230
where: short stacking energy: -138.664
Base-Backbone interact. energy: 6.699
local terms energy: -266.903059
where:
bonds (distance) C4'-P energy: -90.921
bonds (distance) P-C4' energy: -80.002
flat angles C4'-P-C4' energy: -56.629
flat angles P-C4'-P energy: -34.241
tors. eta vs tors. theta energy: -5.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -442.145500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.145500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.145500 (E_RNA)
where:
Base-Base interactions energy: -179.296
where: short stacking energy: -106.929
Base-Backbone interact. energy: 3.938
local terms energy: -267.271430
where:
bonds (distance) C4'-P energy: -78.568
bonds (distance) P-C4' energy: -81.644
flat angles C4'-P-C4' energy: -87.727
flat angles P-C4'-P energy: -35.918
tors. eta vs tors. theta energy: 16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.483 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1687.145452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.145452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.145452 (E_RNA)
where:
Base-Base interactions energy: -1166.201
where: short stacking energy: -507.989
Base-Backbone interact. energy: -0.521
local terms energy: -520.423924
where:
bonds (distance) C4'-P energy: -99.952
bonds (distance) P-C4' energy: -105.510
flat angles C4'-P-C4' energy: -117.833
flat angles P-C4'-P energy: -57.205
tors. eta vs tors. theta energy: -139.923
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1532.201388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.201388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.201388 (E_RNA)
where:
Base-Base interactions energy: -999.479
where: short stacking energy: -447.594
Base-Backbone interact. energy: -1.081
local terms energy: -531.641323
where:
bonds (distance) C4'-P energy: -102.341
bonds (distance) P-C4' energy: -98.815
flat angles C4'-P-C4' energy: -111.547
flat angles P-C4'-P energy: -77.409
tors. eta vs tors. theta energy: -141.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1424.662031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.662031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.662031 (E_RNA)
where:
Base-Base interactions energy: -927.413
where: short stacking energy: -429.817
Base-Backbone interact. energy: -0.757
local terms energy: -496.492437
where:
bonds (distance) C4'-P energy: -88.785
bonds (distance) P-C4' energy: -98.944
flat angles C4'-P-C4' energy: -106.962
flat angles P-C4'-P energy: -67.165
tors. eta vs tors. theta energy: -134.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1399.291017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.291017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.291017 (E_RNA)
where:
Base-Base interactions energy: -916.128
where: short stacking energy: -435.139
Base-Backbone interact. energy: -3.927
local terms energy: -479.235904
where:
bonds (distance) C4'-P energy: -91.489
bonds (distance) P-C4' energy: -103.906
flat angles C4'-P-C4' energy: -111.478
flat angles P-C4'-P energy: -50.138
tors. eta vs tors. theta energy: -122.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1317.298103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.298103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.298103 (E_RNA)
where:
Base-Base interactions energy: -864.896
where: short stacking energy: -395.702
Base-Backbone interact. energy: 1.427
local terms energy: -453.828558
where:
bonds (distance) C4'-P energy: -88.413
bonds (distance) P-C4' energy: -85.103
flat angles C4'-P-C4' energy: -109.607
flat angles P-C4'-P energy: -65.555
tors. eta vs tors. theta energy: -105.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1073.741814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.741814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.741814 (E_RNA)
where:
Base-Base interactions energy: -670.211
where: short stacking energy: -306.419
Base-Backbone interact. energy: -0.650
local terms energy: -402.880667
where:
bonds (distance) C4'-P energy: -72.405
bonds (distance) P-C4' energy: -83.469
flat angles C4'-P-C4' energy: -105.946
flat angles P-C4'-P energy: -59.754
tors. eta vs tors. theta energy: -81.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -876.767015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.767015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.767015 (E_RNA)
where:
Base-Base interactions energy: -493.067
where: short stacking energy: -256.357
Base-Backbone interact. energy: -1.228
local terms energy: -382.471597
where:
bonds (distance) C4'-P energy: -87.239
bonds (distance) P-C4' energy: -99.157
flat angles C4'-P-C4' energy: -85.754
flat angles P-C4'-P energy: -65.535
tors. eta vs tors. theta energy: -44.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -647.983839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.983839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.983839 (E_RNA)
where:
Base-Base interactions energy: -323.094
where: short stacking energy: -195.701
Base-Backbone interact. energy: 0.376
local terms energy: -325.266119
where:
bonds (distance) C4'-P energy: -80.234
bonds (distance) P-C4' energy: -85.087
flat angles C4'-P-C4' energy: -90.569
flat angles P-C4'-P energy: -41.775
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -522.275718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.275718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.275718 (E_RNA)
where:
Base-Base interactions energy: -224.151
where: short stacking energy: -143.225
Base-Backbone interact. energy: -2.041
local terms energy: -296.084294
where:
bonds (distance) C4'-P energy: -73.291
bonds (distance) P-C4' energy: -93.924
flat angles C4'-P-C4' energy: -92.640
flat angles P-C4'-P energy: -44.542
tors. eta vs tors. theta energy: 8.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -402.254213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.254213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.254213 (E_RNA)
where:
Base-Base interactions energy: -143.600
where: short stacking energy: -103.579
Base-Backbone interact. energy: -2.738
local terms energy: -255.916584
where:
bonds (distance) C4'-P energy: -61.468
bonds (distance) P-C4' energy: -85.362
flat angles C4'-P-C4' energy: -75.327
flat angles P-C4'-P energy: -56.329
tors. eta vs tors. theta energy: 22.570
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: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1649.027958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.027958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.027958 (E_RNA)
where:
Base-Base interactions energy: -1109.078
where: short stacking energy: -500.834
Base-Backbone interact. energy: -0.275
local terms energy: -539.674799
where:
bonds (distance) C4'-P energy: -103.619
bonds (distance) P-C4' energy: -98.497
flat angles C4'-P-C4' energy: -124.655
flat angles P-C4'-P energy: -79.448
tors. eta vs tors. theta energy: -133.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1528.193561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.193561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.193561 (E_RNA)
where:
Base-Base interactions energy: -1023.457
where: short stacking energy: -486.646
Base-Backbone interact. energy: -0.996
local terms energy: -503.740874
where:
bonds (distance) C4'-P energy: -92.209
bonds (distance) P-C4' energy: -103.238
flat angles C4'-P-C4' energy: -111.469
flat angles P-C4'-P energy: -70.406
tors. eta vs tors. theta energy: -126.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1436.749857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.749857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.749857 (E_RNA)
where:
Base-Base interactions energy: -944.022
where: short stacking energy: -441.092
Base-Backbone interact. energy: -1.886
local terms energy: -490.841618
where:
bonds (distance) C4'-P energy: -84.051
bonds (distance) P-C4' energy: -109.105
flat angles C4'-P-C4' energy: -105.222
flat angles P-C4'-P energy: -71.727
tors. eta vs tors. theta energy: -120.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1346.647252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.647252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.647252 (E_RNA)
where:
Base-Base interactions energy: -861.008
where: short stacking energy: -396.260
Base-Backbone interact. energy: -0.780
local terms energy: -484.859437
where:
bonds (distance) C4'-P energy: -103.222
bonds (distance) P-C4' energy: -92.033
flat angles C4'-P-C4' energy: -105.933
flat angles P-C4'-P energy: -65.452
tors. eta vs tors. theta energy: -118.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1332.035506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.035506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.035506 (E_RNA)
where:
Base-Base interactions energy: -874.970
where: short stacking energy: -387.179
Base-Backbone interact. energy: 1.586
local terms energy: -458.651147
where:
bonds (distance) C4'-P energy: -91.048
bonds (distance) P-C4' energy: -100.953
flat angles C4'-P-C4' energy: -99.185
flat angles P-C4'-P energy: -52.644
tors. eta vs tors. theta energy: -114.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1172.868015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.868015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.868015 (E_RNA)
where:
Base-Base interactions energy: -762.125
where: short stacking energy: -319.395
Base-Backbone interact. energy: -0.689
local terms energy: -410.054430
where:
bonds (distance) C4'-P energy: -78.998
bonds (distance) P-C4' energy: -92.004
flat angles C4'-P-C4' energy: -104.968
flat angles P-C4'-P energy: -50.915
tors. eta vs tors. theta energy: -83.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -918.355058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.355058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.355058 (E_RNA)
where:
Base-Base interactions energy: -567.587
where: short stacking energy: -272.985
Base-Backbone interact. energy: -0.996
local terms energy: -349.772589
where:
bonds (distance) C4'-P energy: -79.106
bonds (distance) P-C4' energy: -78.933
flat angles C4'-P-C4' energy: -91.517
flat angles P-C4'-P energy: -63.315
tors. eta vs tors. theta energy: -36.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -703.819839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.819839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.819839 (E_RNA)
where:
Base-Base interactions energy: -402.424
where: short stacking energy: -197.362
Base-Backbone interact. energy: 0.434
local terms energy: -301.830431
where:
bonds (distance) C4'-P energy: -80.685
bonds (distance) P-C4' energy: -95.410
flat angles C4'-P-C4' energy: -72.897
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: -17.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -461.435084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.435084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.435084 (E_RNA)
where:
Base-Base interactions energy: -199.879
where: short stacking energy: -156.800
Base-Backbone interact. energy: -0.768
local terms energy: -260.787769
where:
bonds (distance) C4'-P energy: -84.667
bonds (distance) P-C4' energy: -75.164
flat angles C4'-P-C4' energy: -73.771
flat angles P-C4'-P energy: -36.664
tors. eta vs tors. theta energy: 9.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -407.876335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.876335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.876335 (E_RNA)
where:
Base-Base interactions energy: -151.501
where: short stacking energy: -103.952
Base-Backbone interact. energy: -2.268
local terms energy: -254.107312
where:
bonds (distance) C4'-P energy: -87.522
bonds (distance) P-C4' energy: -86.378
flat angles C4'-P-C4' energy: -71.541
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: 11.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1632.469195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.469195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.469195 (E_RNA)
where:
Base-Base interactions energy: -1075.920
where: short stacking energy: -476.250
Base-Backbone interact. energy: 6.182
local terms energy: -562.731506
where:
bonds (distance) C4'-P energy: -104.651
bonds (distance) P-C4' energy: -114.946
flat angles C4'-P-C4' energy: -124.954
flat angles P-C4'-P energy: -79.087
tors. eta vs tors. theta energy: -139.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1533.006804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.006804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.006804 (E_RNA)
where:
Base-Base interactions energy: -1041.733
where: short stacking energy: -449.258
Base-Backbone interact. energy: -3.384
local terms energy: -487.889873
where:
bonds (distance) C4'-P energy: -99.930
bonds (distance) P-C4' energy: -99.307
flat angles C4'-P-C4' energy: -103.519
flat angles P-C4'-P energy: -64.168
tors. eta vs tors. theta energy: -120.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1398.922283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.922283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.922283 (E_RNA)
where:
Base-Base interactions energy: -914.999
where: short stacking energy: -441.386
Base-Backbone interact. energy: 0.257
local terms energy: -484.180217
where:
bonds (distance) C4'-P energy: -89.318
bonds (distance) P-C4' energy: -98.772
flat angles C4'-P-C4' energy: -112.817
flat angles P-C4'-P energy: -69.265
tors. eta vs tors. theta energy: -114.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1338.561034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.561034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.561034 (E_RNA)
where:
Base-Base interactions energy: -866.028
where: short stacking energy: -406.228
Base-Backbone interact. energy: 1.134
local terms energy: -473.667564
where:
bonds (distance) C4'-P energy: -95.209
bonds (distance) P-C4' energy: -107.259
flat angles C4'-P-C4' energy: -101.650
flat angles P-C4'-P energy: -56.392
tors. eta vs tors. theta energy: -113.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1308.306248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.306248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.306248 (E_RNA)
where:
Base-Base interactions energy: -820.980
where: short stacking energy: -371.636
Base-Backbone interact. energy: -0.509
local terms energy: -486.817215
where:
bonds (distance) C4'-P energy: -97.191
bonds (distance) P-C4' energy: -102.431
flat angles C4'-P-C4' energy: -97.607
flat angles P-C4'-P energy: -75.237
tors. eta vs tors. theta energy: -114.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1136.083298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.083298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.083298 (E_RNA)
where:
Base-Base interactions energy: -721.881
where: short stacking energy: -322.520
Base-Backbone interact. energy: -3.606
local terms energy: -410.597076
where:
bonds (distance) C4'-P energy: -92.435
bonds (distance) P-C4' energy: -92.484
flat angles C4'-P-C4' energy: -90.663
flat angles P-C4'-P energy: -54.123
tors. eta vs tors. theta energy: -80.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -932.726905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.726905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.726905 (E_RNA)
where:
Base-Base interactions energy: -563.441
where: short stacking energy: -274.593
Base-Backbone interact. energy: -1.151
local terms energy: -368.134523
where:
bonds (distance) C4'-P energy: -81.548
bonds (distance) P-C4' energy: -89.451
flat angles C4'-P-C4' energy: -87.739
flat angles P-C4'-P energy: -48.695
tors. eta vs tors. theta energy: -60.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -735.128372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.128372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.128372 (E_RNA)
where:
Base-Base interactions energy: -395.063
where: short stacking energy: -190.805
Base-Backbone interact. energy: -1.618
local terms energy: -338.446613
where:
bonds (distance) C4'-P energy: -77.502
bonds (distance) P-C4' energy: -100.893
flat angles C4'-P-C4' energy: -76.784
flat angles P-C4'-P energy: -61.780
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -437.021499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.021499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.021499 (E_RNA)
where:
Base-Base interactions energy: -160.698
where: short stacking energy: -123.559
Base-Backbone interact. energy: -1.005
local terms energy: -275.318580
where:
bonds (distance) C4'-P energy: -83.126
bonds (distance) P-C4' energy: -86.625
flat angles C4'-P-C4' energy: -67.306
flat angles P-C4'-P energy: -40.147
tors. eta vs tors. theta energy: 1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -402.532659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.532659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.532659 (E_RNA)
where:
Base-Base interactions energy: -116.972
where: short stacking energy: -84.527
Base-Backbone interact. energy: 1.166
local terms energy: -286.726692
where:
bonds (distance) C4'-P energy: -96.145
bonds (distance) P-C4' energy: -85.565
flat angles C4'-P-C4' energy: -70.562
flat angles P-C4'-P energy: -58.385
tors. eta vs tors. theta energy: 23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1646.847294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.847294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.847294 (E_RNA)
where:
Base-Base interactions energy: -1121.181
where: short stacking energy: -480.146
Base-Backbone interact. energy: -2.678
local terms energy: -522.988444
where:
bonds (distance) C4'-P energy: -86.361
bonds (distance) P-C4' energy: -105.863
flat angles C4'-P-C4' energy: -117.642
flat angles P-C4'-P energy: -73.211
tors. eta vs tors. theta energy: -139.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1519.162106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.162106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.162106 (E_RNA)
where:
Base-Base interactions energy: -1014.606
where: short stacking energy: -466.883
Base-Backbone interact. energy: -2.576
local terms energy: -501.980073
where:
bonds (distance) C4'-P energy: -93.666
bonds (distance) P-C4' energy: -85.391
flat angles C4'-P-C4' energy: -118.053
flat angles P-C4'-P energy: -77.890
tors. eta vs tors. theta energy: -126.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1396.701375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.701375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.701375 (E_RNA)
where:
Base-Base interactions energy: -889.826
where: short stacking energy: -431.467
Base-Backbone interact. energy: 0.752
local terms energy: -507.627565
where:
bonds (distance) C4'-P energy: -108.500
bonds (distance) P-C4' energy: -103.688
flat angles C4'-P-C4' energy: -102.884
flat angles P-C4'-P energy: -71.919
tors. eta vs tors. theta energy: -120.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1315.813627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.813627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.813627 (E_RNA)
where:
Base-Base interactions energy: -865.090
where: short stacking energy: -418.423
Base-Backbone interact. energy: -2.060
local terms energy: -448.664067
where:
bonds (distance) C4'-P energy: -87.345
bonds (distance) P-C4' energy: -99.238
flat angles C4'-P-C4' energy: -102.449
flat angles P-C4'-P energy: -62.176
tors. eta vs tors. theta energy: -97.457
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: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1288.530366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.530366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.530366 (E_RNA)
where:
Base-Base interactions energy: -854.401
where: short stacking energy: -387.368
Base-Backbone interact. energy: -0.829
local terms energy: -433.300871
where:
bonds (distance) C4'-P energy: -98.920
bonds (distance) P-C4' energy: -86.238
flat angles C4'-P-C4' energy: -94.598
flat angles P-C4'-P energy: -62.464
tors. eta vs tors. theta energy: -91.082
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: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1181.897951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.897951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.897951 (E_RNA)
where:
Base-Base interactions energy: -765.610
where: short stacking energy: -335.675
Base-Backbone interact. energy: 4.528
local terms energy: -420.815889
where:
bonds (distance) C4'-P energy: -75.073
bonds (distance) P-C4' energy: -97.666
flat angles C4'-P-C4' energy: -89.881
flat angles P-C4'-P energy: -66.571
tors. eta vs tors. theta energy: -91.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -934.315728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.315728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.315728 (E_RNA)
where:
Base-Base interactions energy: -566.461
where: short stacking energy: -280.526
Base-Backbone interact. energy: 0.171
local terms energy: -368.025183
where:
bonds (distance) C4'-P energy: -76.887
bonds (distance) P-C4' energy: -91.597
flat angles C4'-P-C4' energy: -84.723
flat angles P-C4'-P energy: -62.684
tors. eta vs tors. theta energy: -52.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -838.168459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.168459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.168459 (E_RNA)
where:
Base-Base interactions energy: -512.680
where: short stacking energy: -252.283
Base-Backbone interact. energy: 5.615
local terms energy: -331.103192
where:
bonds (distance) C4'-P energy: -91.537
bonds (distance) P-C4' energy: -77.875
flat angles C4'-P-C4' energy: -78.123
flat angles P-C4'-P energy: -44.139
tors. eta vs tors. theta energy: -39.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -474.765033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.765033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.765033 (E_RNA)
where:
Base-Base interactions energy: -213.127
where: short stacking energy: -156.479
Base-Backbone interact. energy: -1.893
local terms energy: -259.744786
where:
bonds (distance) C4'-P energy: -70.574
bonds (distance) P-C4' energy: -87.490
flat angles C4'-P-C4' energy: -75.300
flat angles P-C4'-P energy: -43.084
tors. eta vs tors. theta energy: 16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -386.965520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.965520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.965520 (E_RNA)
where:
Base-Base interactions energy: -135.909
where: short stacking energy: -100.692
Base-Backbone interact. energy: -1.641
local terms energy: -249.416000
where:
bonds (distance) C4'-P energy: -79.525
bonds (distance) P-C4' energy: -74.310
flat angles C4'-P-C4' energy: -53.112
flat angles P-C4'-P energy: -59.341
tors. eta vs tors. theta energy: 16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1630.285702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.285702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.285702 (E_RNA)
where:
Base-Base interactions energy: -1112.826
where: short stacking energy: -502.092
Base-Backbone interact. energy: -0.006
local terms energy: -517.453346
where:
bonds (distance) C4'-P energy: -97.476
bonds (distance) P-C4' energy: -104.151
flat angles C4'-P-C4' energy: -106.992
flat angles P-C4'-P energy: -77.801
tors. eta vs tors. theta energy: -131.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1528.777984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.777984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.777984 (E_RNA)
where:
Base-Base interactions energy: -1010.233
where: short stacking energy: -460.478
Base-Backbone interact. energy: 0.203
local terms energy: -518.747534
where:
bonds (distance) C4'-P energy: -107.753
bonds (distance) P-C4' energy: -97.058
flat angles C4'-P-C4' energy: -108.040
flat angles P-C4'-P energy: -74.406
tors. eta vs tors. theta energy: -131.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1404.808342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.808342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.808342 (E_RNA)
where:
Base-Base interactions energy: -926.858
where: short stacking energy: -434.586
Base-Backbone interact. energy: 0.423
local terms energy: -478.372694
where:
bonds (distance) C4'-P energy: -86.025
bonds (distance) P-C4' energy: -105.673
flat angles C4'-P-C4' energy: -100.130
flat angles P-C4'-P energy: -73.595
tors. eta vs tors. theta energy: -112.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1365.966020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.966020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.966020 (E_RNA)
where:
Base-Base interactions energy: -907.288
where: short stacking energy: -430.539
Base-Backbone interact. energy: -0.762
local terms energy: -457.916487
where:
bonds (distance) C4'-P energy: -86.454
bonds (distance) P-C4' energy: -92.871
flat angles C4'-P-C4' energy: -102.596
flat angles P-C4'-P energy: -60.905
tors. eta vs tors. theta energy: -115.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1270.658623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.658623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.658623 (E_RNA)
where:
Base-Base interactions energy: -815.445
where: short stacking energy: -374.225
Base-Backbone interact. energy: 1.764
local terms energy: -456.977191
where:
bonds (distance) C4'-P energy: -94.557
bonds (distance) P-C4' energy: -90.366
flat angles C4'-P-C4' energy: -109.319
flat angles P-C4'-P energy: -63.440
tors. eta vs tors. theta energy: -99.295
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: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1112.976121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.976121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.976121 (E_RNA)
where:
Base-Base interactions energy: -689.726
where: short stacking energy: -291.648
Base-Backbone interact. energy: -1.973
local terms energy: -421.277440
where:
bonds (distance) C4'-P energy: -92.614
bonds (distance) P-C4' energy: -90.412
flat angles C4'-P-C4' energy: -100.555
flat angles P-C4'-P energy: -57.475
tors. eta vs tors. theta energy: -80.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -970.277383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.277383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.277383 (E_RNA)
where:
Base-Base interactions energy: -608.918
where: short stacking energy: -296.118
Base-Backbone interact. energy: 3.145
local terms energy: -364.504962
where:
bonds (distance) C4'-P energy: -69.104
bonds (distance) P-C4' energy: -86.896
flat angles C4'-P-C4' energy: -93.181
flat angles P-C4'-P energy: -56.624
tors. eta vs tors. theta energy: -58.700
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: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -784.344342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.344342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.344342 (E_RNA)
where:
Base-Base interactions energy: -446.746
where: short stacking energy: -214.813
Base-Backbone interact. energy: 0.968
local terms energy: -338.566181
where:
bonds (distance) C4'-P energy: -70.244
bonds (distance) P-C4' energy: -98.314
flat angles C4'-P-C4' energy: -82.405
flat angles P-C4'-P energy: -60.717
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -509.556836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.556836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.556836 (E_RNA)
where:
Base-Base interactions energy: -203.765
where: short stacking energy: -146.243
Base-Backbone interact. energy: -1.873
local terms energy: -303.919014
where:
bonds (distance) C4'-P energy: -86.264
bonds (distance) P-C4' energy: -100.577
flat angles C4'-P-C4' energy: -80.629
flat angles P-C4'-P energy: -30.728
tors. eta vs tors. theta energy: -5.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -472.333949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.333949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.333949 (E_RNA)
where:
Base-Base interactions energy: -198.169
where: short stacking energy: -134.008
Base-Backbone interact. energy: 2.516
local terms energy: -276.680869
where:
bonds (distance) C4'-P energy: -90.853
bonds (distance) P-C4' energy: -68.273
flat angles C4'-P-C4' energy: -81.602
flat angles P-C4'-P energy: -49.635
tors. eta vs tors. theta energy: 13.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1626.195242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.195242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.195242 (E_RNA)
where:
Base-Base interactions energy: -1105.726
where: short stacking energy: -477.279
Base-Backbone interact. energy: -1.466
local terms energy: -519.003115
where:
bonds (distance) C4'-P energy: -98.044
bonds (distance) P-C4' energy: -108.817
flat angles C4'-P-C4' energy: -112.204
flat angles P-C4'-P energy: -75.557
tors. eta vs tors. theta energy: -124.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1531.420174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.420174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.420174 (E_RNA)
where:
Base-Base interactions energy: -1041.593
where: short stacking energy: -467.269
Base-Backbone interact. energy: -0.934
local terms energy: -488.893538
where:
bonds (distance) C4'-P energy: -92.511
bonds (distance) P-C4' energy: -94.077
flat angles C4'-P-C4' energy: -110.656
flat angles P-C4'-P energy: -65.209
tors. eta vs tors. theta energy: -126.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1416.628430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.628430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.628430 (E_RNA)
where:
Base-Base interactions energy: -915.807
where: short stacking energy: -414.776
Base-Backbone interact. energy: 1.165
local terms energy: -501.986567
where:
bonds (distance) C4'-P energy: -89.849
bonds (distance) P-C4' energy: -100.947
flat angles C4'-P-C4' energy: -116.875
flat angles P-C4'-P energy: -75.966
tors. eta vs tors. theta energy: -118.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1397.517012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.517012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.517012 (E_RNA)
where:
Base-Base interactions energy: -898.516
where: short stacking energy: -421.329
Base-Backbone interact. energy: -2.248
local terms energy: -496.752984
where:
bonds (distance) C4'-P energy: -88.081
bonds (distance) P-C4' energy: -103.867
flat angles C4'-P-C4' energy: -112.574
flat angles P-C4'-P energy: -67.815
tors. eta vs tors. theta energy: -124.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1283.308926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.308926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.308926 (E_RNA)
where:
Base-Base interactions energy: -837.220
where: short stacking energy: -370.174
Base-Backbone interact. energy: -1.092
local terms energy: -444.996284
where:
bonds (distance) C4'-P energy: -97.867
bonds (distance) P-C4' energy: -90.624
flat angles C4'-P-C4' energy: -96.909
flat angles P-C4'-P energy: -63.127
tors. eta vs tors. theta energy: -96.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1038.229702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.229702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.229702 (E_RNA)
where:
Base-Base interactions energy: -618.910
where: short stacking energy: -273.955
Base-Backbone interact. energy: -2.796
local terms energy: -416.523552
where:
bonds (distance) C4'-P energy: -94.243
bonds (distance) P-C4' energy: -102.798
flat angles C4'-P-C4' energy: -99.353
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -66.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -966.493576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.493576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.493576 (E_RNA)
where:
Base-Base interactions energy: -574.425
where: short stacking energy: -281.117
Base-Backbone interact. energy: -1.006
local terms energy: -391.063232
where:
bonds (distance) C4'-P energy: -80.346
bonds (distance) P-C4' energy: -87.681
flat angles C4'-P-C4' energy: -100.703
flat angles P-C4'-P energy: -58.374
tors. eta vs tors. theta energy: -63.959
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: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -827.262476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.262476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.262476 (E_RNA)
where:
Base-Base interactions energy: -495.803
where: short stacking energy: -252.738
Base-Backbone interact. energy: 0.610
local terms energy: -332.069165
where:
bonds (distance) C4'-P energy: -92.532
bonds (distance) P-C4' energy: -87.509
flat angles C4'-P-C4' energy: -78.086
flat angles P-C4'-P energy: -43.365
tors. eta vs tors. theta energy: -30.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -501.379352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.379352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.379352 (E_RNA)
where:
Base-Base interactions energy: -214.527
where: short stacking energy: -140.591
Base-Backbone interact. energy: 0.564
local terms energy: -287.415978
where:
bonds (distance) C4'-P energy: -87.672
bonds (distance) P-C4' energy: -90.730
flat angles C4'-P-C4' energy: -56.289
flat angles P-C4'-P energy: -53.870
tors. eta vs tors. theta energy: 1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -447.910718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.910718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.910718 (E_RNA)
where:
Base-Base interactions energy: -175.932
where: short stacking energy: -115.807
Base-Backbone interact. energy: 1.903
local terms energy: -273.882310
where:
bonds (distance) C4'-P energy: -75.359
bonds (distance) P-C4' energy: -104.126
flat angles C4'-P-C4' energy: -80.282
flat angles P-C4'-P energy: -30.058
tors. eta vs tors. theta energy: 15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1663.795199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.795199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.795199 (E_RNA)
where:
Base-Base interactions energy: -1121.457
where: short stacking energy: -498.442
Base-Backbone interact. energy: -3.301
local terms energy: -539.037308
where:
bonds (distance) C4'-P energy: -108.228
bonds (distance) P-C4' energy: -106.569
flat angles C4'-P-C4' energy: -107.607
flat angles P-C4'-P energy: -77.954
tors. eta vs tors. theta energy: -138.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1546.330404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.330404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.330404 (E_RNA)
where:
Base-Base interactions energy: -1057.453
where: short stacking energy: -463.177
Base-Backbone interact. energy: -0.899
local terms energy: -487.977602
where:
bonds (distance) C4'-P energy: -91.673
bonds (distance) P-C4' energy: -99.786
flat angles C4'-P-C4' energy: -106.817
flat angles P-C4'-P energy: -68.787
tors. eta vs tors. theta energy: -120.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1409.063820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.063820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.063820 (E_RNA)
where:
Base-Base interactions energy: -923.277
where: short stacking energy: -428.644
Base-Backbone interact. energy: 2.301
local terms energy: -488.087425
where:
bonds (distance) C4'-P energy: -93.228
bonds (distance) P-C4' energy: -103.871
flat angles C4'-P-C4' energy: -109.457
flat angles P-C4'-P energy: -68.567
tors. eta vs tors. theta energy: -112.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1357.139887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.139887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.139887 (E_RNA)
where:
Base-Base interactions energy: -891.681
where: short stacking energy: -434.660
Base-Backbone interact. energy: -1.601
local terms energy: -463.858489
where:
bonds (distance) C4'-P energy: -84.458
bonds (distance) P-C4' energy: -92.168
flat angles C4'-P-C4' energy: -104.085
flat angles P-C4'-P energy: -63.665
tors. eta vs tors. theta energy: -119.483
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: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1318.923014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.923014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.923014 (E_RNA)
where:
Base-Base interactions energy: -844.269
where: short stacking energy: -377.355
Base-Backbone interact. energy: 0.087
local terms energy: -474.741016
where:
bonds (distance) C4'-P energy: -99.475
bonds (distance) P-C4' energy: -91.228
flat angles C4'-P-C4' energy: -104.854
flat angles P-C4'-P energy: -72.422
tors. eta vs tors. theta energy: -106.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1111.230377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.230377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.230377 (E_RNA)
where:
Base-Base interactions energy: -679.215
where: short stacking energy: -365.416
Base-Backbone interact. energy: -0.670
local terms energy: -431.345297
where:
bonds (distance) C4'-P energy: -87.922
bonds (distance) P-C4' energy: -92.678
flat angles C4'-P-C4' energy: -90.972
flat angles P-C4'-P energy: -62.190
tors. eta vs tors. theta energy: -97.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1007.454618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.454618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.454618 (E_RNA)
where:
Base-Base interactions energy: -637.662
where: short stacking energy: -300.294
Base-Backbone interact. energy: -2.326
local terms energy: -367.465720
where:
bonds (distance) C4'-P energy: -74.130
bonds (distance) P-C4' energy: -78.630
flat angles C4'-P-C4' energy: -96.947
flat angles P-C4'-P energy: -59.664
tors. eta vs tors. theta energy: -58.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -823.859459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.859459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.859459 (E_RNA)
where:
Base-Base interactions energy: -456.602
where: short stacking energy: -239.336
Base-Backbone interact. energy: -0.822
local terms energy: -366.435076
where:
bonds (distance) C4'-P energy: -96.286
bonds (distance) P-C4' energy: -89.217
flat angles C4'-P-C4' energy: -79.433
flat angles P-C4'-P energy: -55.162
tors. eta vs tors. theta energy: -46.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -531.946923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.946923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.946923 (E_RNA)
where:
Base-Base interactions energy: -215.224
where: short stacking energy: -142.447
Base-Backbone interact. energy: -1.080
local terms energy: -315.643020
where:
bonds (distance) C4'-P energy: -87.197
bonds (distance) P-C4' energy: -88.260
flat angles C4'-P-C4' energy: -71.214
flat angles P-C4'-P energy: -56.736
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -499.008789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.008789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.008789 (E_RNA)
where:
Base-Base interactions energy: -214.833
where: short stacking energy: -154.252
Base-Backbone interact. energy: 1.925
local terms energy: -286.100584
where:
bonds (distance) C4'-P energy: -70.345
bonds (distance) P-C4' energy: -87.152
flat angles C4'-P-C4' energy: -79.623
flat angles P-C4'-P energy: -36.303
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1666.067868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.067868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.067868 (E_RNA)
where:
Base-Base interactions energy: -1141.299
where: short stacking energy: -513.928
Base-Backbone interact. energy: -0.061
local terms energy: -524.708378
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -108.812
flat angles C4'-P-C4' energy: -106.271
flat angles P-C4'-P energy: -73.888
tors. eta vs tors. theta energy: -139.670
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: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1571.522434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.522434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.522434 (E_RNA)
where:
Base-Base interactions energy: -1064.065
where: short stacking energy: -463.721
Base-Backbone interact. energy: -3.734
local terms energy: -503.723473
where:
bonds (distance) C4'-P energy: -100.365
bonds (distance) P-C4' energy: -101.493
flat angles C4'-P-C4' energy: -116.306
flat angles P-C4'-P energy: -54.928
tors. eta vs tors. theta energy: -130.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1441.853947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.853947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.853947 (E_RNA)
where:
Base-Base interactions energy: -941.859
where: short stacking energy: -453.375
Base-Backbone interact. energy: -2.206
local terms energy: -497.788700
where:
bonds (distance) C4'-P energy: -91.371
bonds (distance) P-C4' energy: -107.067
flat angles C4'-P-C4' energy: -100.189
flat angles P-C4'-P energy: -66.108
tors. eta vs tors. theta energy: -133.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1383.087438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.087438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.087438 (E_RNA)
where:
Base-Base interactions energy: -879.895
where: short stacking energy: -409.946
Base-Backbone interact. energy: -1.183
local terms energy: -502.009128
where:
bonds (distance) C4'-P energy: -103.790
bonds (distance) P-C4' energy: -94.497
flat angles C4'-P-C4' energy: -111.207
flat angles P-C4'-P energy: -71.296
tors. eta vs tors. theta energy: -121.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1315.294318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.294318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.294318 (E_RNA)
where:
Base-Base interactions energy: -890.246
where: short stacking energy: -402.487
Base-Backbone interact. energy: 0.099
local terms energy: -425.147250
where:
bonds (distance) C4'-P energy: -84.971
bonds (distance) P-C4' energy: -76.181
flat angles C4'-P-C4' energy: -98.546
flat angles P-C4'-P energy: -52.159
tors. eta vs tors. theta energy: -113.289
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: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1059.746234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.746234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.746234 (E_RNA)
where:
Base-Base interactions energy: -648.127
where: short stacking energy: -313.665
Base-Backbone interact. energy: -3.337
local terms energy: -408.281985
where:
bonds (distance) C4'-P energy: -96.703
bonds (distance) P-C4' energy: -89.448
flat angles C4'-P-C4' energy: -96.232
flat angles P-C4'-P energy: -49.946
tors. eta vs tors. theta energy: -75.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -963.377066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.377066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.377066 (E_RNA)
where:
Base-Base interactions energy: -585.611
where: short stacking energy: -288.572
Base-Backbone interact. energy: -0.798
local terms energy: -376.967394
where:
bonds (distance) C4'-P energy: -87.555
bonds (distance) P-C4' energy: -83.313
flat angles C4'-P-C4' energy: -87.426
flat angles P-C4'-P energy: -50.701
tors. eta vs tors. theta energy: -67.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -823.381194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.381194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.381194 (E_RNA)
where:
Base-Base interactions energy: -467.028
where: short stacking energy: -223.018
Base-Backbone interact. energy: -0.597
local terms energy: -355.756223
where:
bonds (distance) C4'-P energy: -81.477
bonds (distance) P-C4' energy: -100.114
flat angles C4'-P-C4' energy: -87.651
flat angles P-C4'-P energy: -50.618
tors. eta vs tors. theta energy: -35.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -556.970597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.970597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.970597 (E_RNA)
where:
Base-Base interactions energy: -296.750
where: short stacking energy: -163.807
Base-Backbone interact. energy: 5.282
local terms energy: -265.502681
where:
bonds (distance) C4'-P energy: -88.095
bonds (distance) P-C4' energy: -70.915
flat angles C4'-P-C4' energy: -68.749
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -487.391152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.391152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.391152 (E_RNA)
where:
Base-Base interactions energy: -218.826
where: short stacking energy: -139.926
Base-Backbone interact. energy: -0.220
local terms energy: -268.345673
where:
bonds (distance) C4'-P energy: -83.603
bonds (distance) P-C4' energy: -90.377
flat angles C4'-P-C4' energy: -61.896
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: 3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1623.835369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.835369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.835369 (E_RNA)
where:
Base-Base interactions energy: -1088.425
where: short stacking energy: -495.408
Base-Backbone interact. energy: -1.441
local terms energy: -533.969627
where:
bonds (distance) C4'-P energy: -90.595
bonds (distance) P-C4' energy: -107.075
flat angles C4'-P-C4' energy: -117.727
flat angles P-C4'-P energy: -79.066
tors. eta vs tors. theta energy: -139.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1559.356424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.356424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.356424 (E_RNA)
where:
Base-Base interactions energy: -1033.909
where: short stacking energy: -477.824
Base-Backbone interact. energy: -2.737
local terms energy: -522.710318
where:
bonds (distance) C4'-P energy: -93.650
bonds (distance) P-C4' energy: -100.450
flat angles C4'-P-C4' energy: -112.960
flat angles P-C4'-P energy: -75.801
tors. eta vs tors. theta energy: -139.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1423.861731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.861731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.861731 (E_RNA)
where:
Base-Base interactions energy: -944.838
where: short stacking energy: -421.458
Base-Backbone interact. energy: -2.360
local terms energy: -476.663767
where:
bonds (distance) C4'-P energy: -93.958
bonds (distance) P-C4' energy: -86.702
flat angles C4'-P-C4' energy: -102.791
flat angles P-C4'-P energy: -70.743
tors. eta vs tors. theta energy: -122.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1332.546095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.546095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.546095 (E_RNA)
where:
Base-Base interactions energy: -869.708
where: short stacking energy: -369.229
Base-Backbone interact. energy: -2.454
local terms energy: -460.383695
where:
bonds (distance) C4'-P energy: -102.006
bonds (distance) P-C4' energy: -88.367
flat angles C4'-P-C4' energy: -96.259
flat angles P-C4'-P energy: -75.099
tors. eta vs tors. theta energy: -98.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1295.113041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.113041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.113041 (E_RNA)
where:
Base-Base interactions energy: -842.677
where: short stacking energy: -388.879
Base-Backbone interact. energy: -2.647
local terms energy: -449.789503
where:
bonds (distance) C4'-P energy: -94.670
bonds (distance) P-C4' energy: -84.968
flat angles C4'-P-C4' energy: -108.156
flat angles P-C4'-P energy: -51.957
tors. eta vs tors. theta energy: -110.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1085.966051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.966051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.966051 (E_RNA)
where:
Base-Base interactions energy: -670.273
where: short stacking energy: -342.442
Base-Backbone interact. energy: -1.160
local terms energy: -414.533172
where:
bonds (distance) C4'-P energy: -82.413
bonds (distance) P-C4' energy: -83.957
flat angles C4'-P-C4' energy: -105.414
flat angles P-C4'-P energy: -64.839
tors. eta vs tors. theta energy: -77.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -964.627414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.627414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.627414 (E_RNA)
where:
Base-Base interactions energy: -598.096
where: short stacking energy: -284.493
Base-Backbone interact. energy: -0.477
local terms energy: -366.054609
where:
bonds (distance) C4'-P energy: -69.096
bonds (distance) P-C4' energy: -91.315
flat angles C4'-P-C4' energy: -91.845
flat angles P-C4'-P energy: -46.696
tors. eta vs tors. theta energy: -67.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -770.369795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.369795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.369795 (E_RNA)
where:
Base-Base interactions energy: -438.432
where: short stacking energy: -208.798
Base-Backbone interact. energy: -0.444
local terms energy: -331.494551
where:
bonds (distance) C4'-P energy: -96.100
bonds (distance) P-C4' energy: -88.582
flat angles C4'-P-C4' energy: -68.797
flat angles P-C4'-P energy: -50.821
tors. eta vs tors. theta energy: -27.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -499.413480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.413480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.413480 (E_RNA)
where:
Base-Base interactions energy: -231.455
where: short stacking energy: -137.464
Base-Backbone interact. energy: 1.524
local terms energy: -269.482300
where:
bonds (distance) C4'-P energy: -91.142
bonds (distance) P-C4' energy: -75.319
flat angles C4'-P-C4' energy: -68.887
flat angles P-C4'-P energy: -49.859
tors. eta vs tors. theta energy: 15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -529.615377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.615377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.615377 (E_RNA)
where:
Base-Base interactions energy: -255.085
where: short stacking energy: -134.916
Base-Backbone interact. energy: 4.551
local terms energy: -279.081692
where:
bonds (distance) C4'-P energy: -84.895
bonds (distance) P-C4' energy: -88.097
flat angles C4'-P-C4' energy: -75.451
flat angles P-C4'-P energy: -38.225
tors. eta vs tors. theta energy: 7.586
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: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1621.763837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.763837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.763837 (E_RNA)
where:
Base-Base interactions energy: -1092.078
where: short stacking energy: -478.325
Base-Backbone interact. energy: -5.503
local terms energy: -524.182805
where:
bonds (distance) C4'-P energy: -97.355
bonds (distance) P-C4' energy: -110.016
flat angles C4'-P-C4' energy: -112.570
flat angles P-C4'-P energy: -72.479
tors. eta vs tors. theta energy: -131.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1587.278991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.278991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.278991 (E_RNA)
where:
Base-Base interactions energy: -1057.860
where: short stacking energy: -475.704
Base-Backbone interact. energy: -1.199
local terms energy: -528.220123
where:
bonds (distance) C4'-P energy: -99.757
bonds (distance) P-C4' energy: -94.380
flat angles C4'-P-C4' energy: -115.750
flat angles P-C4'-P energy: -76.869
tors. eta vs tors. theta energy: -141.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1423.148381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.148381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.148381 (E_RNA)
where:
Base-Base interactions energy: -933.891
where: short stacking energy: -456.921
Base-Backbone interact. energy: -1.335
local terms energy: -487.921996
where:
bonds (distance) C4'-P energy: -90.830
bonds (distance) P-C4' energy: -97.296
flat angles C4'-P-C4' energy: -112.641
flat angles P-C4'-P energy: -69.822
tors. eta vs tors. theta energy: -117.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1372.813271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.813271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.813271 (E_RNA)
where:
Base-Base interactions energy: -887.284
where: short stacking energy: -421.414
Base-Backbone interact. energy: 2.039
local terms energy: -487.567865
where:
bonds (distance) C4'-P energy: -99.844
bonds (distance) P-C4' energy: -91.981
flat angles C4'-P-C4' energy: -106.119
flat angles P-C4'-P energy: -70.684
tors. eta vs tors. theta energy: -118.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1333.666383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.666383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.666383 (E_RNA)
where:
Base-Base interactions energy: -889.002
where: short stacking energy: -413.552
Base-Backbone interact. energy: 0.505
local terms energy: -445.169251
where:
bonds (distance) C4'-P energy: -78.953
bonds (distance) P-C4' energy: -86.804
flat angles C4'-P-C4' energy: -95.255
flat angles P-C4'-P energy: -63.574
tors. eta vs tors. theta energy: -120.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1033.839202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.839202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.839202 (E_RNA)
where:
Base-Base interactions energy: -635.999
where: short stacking energy: -330.618
Base-Backbone interact. energy: -1.172
local terms energy: -396.668814
where:
bonds (distance) C4'-P energy: -75.205
bonds (distance) P-C4' energy: -87.046
flat angles C4'-P-C4' energy: -86.355
flat angles P-C4'-P energy: -70.609
tors. eta vs tors. theta energy: -77.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -984.094104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.094104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.094104 (E_RNA)
where:
Base-Base interactions energy: -589.712
where: short stacking energy: -293.856
Base-Backbone interact. energy: -1.166
local terms energy: -393.215686
where:
bonds (distance) C4'-P energy: -70.556
bonds (distance) P-C4' energy: -106.134
flat angles C4'-P-C4' energy: -107.032
flat angles P-C4'-P energy: -55.675
tors. eta vs tors. theta energy: -53.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -767.053866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.053866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.053866 (E_RNA)
where:
Base-Base interactions energy: -449.779
where: short stacking energy: -236.622
Base-Backbone interact. energy: 0.404
local terms energy: -317.678591
where:
bonds (distance) C4'-P energy: -76.468
bonds (distance) P-C4' energy: -85.417
flat angles C4'-P-C4' energy: -72.341
flat angles P-C4'-P energy: -49.883
tors. eta vs tors. theta energy: -33.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -555.559794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.559794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.559794 (E_RNA)
where:
Base-Base interactions energy: -270.593
where: short stacking energy: -154.855
Base-Backbone interact. energy: -0.705
local terms energy: -284.261831
where:
bonds (distance) C4'-P energy: -75.379
bonds (distance) P-C4' energy: -96.410
flat angles C4'-P-C4' energy: -81.033
flat angles P-C4'-P energy: -39.116
tors. eta vs tors. theta energy: 7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -464.623701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.623701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.623701 (E_RNA)
where:
Base-Base interactions energy: -206.046
where: short stacking energy: -131.073
Base-Backbone interact. energy: -0.108
local terms energy: -258.469958
where:
bonds (distance) C4'-P energy: -75.058
bonds (distance) P-C4' energy: -76.310
flat angles C4'-P-C4' energy: -60.893
flat angles P-C4'-P energy: -45.728
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1681.754851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.754851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.754851 (E_RNA)
where:
Base-Base interactions energy: -1137.278
where: short stacking energy: -505.258
Base-Backbone interact. energy: -4.137
local terms energy: -540.339998
where:
bonds (distance) C4'-P energy: -104.697
bonds (distance) P-C4' energy: -105.783
flat angles C4'-P-C4' energy: -119.177
flat angles P-C4'-P energy: -73.990
tors. eta vs tors. theta energy: -136.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1566.096267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.096267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.096267 (E_RNA)
where:
Base-Base interactions energy: -1040.879
where: short stacking energy: -488.000
Base-Backbone interact. energy: -2.135
local terms energy: -523.081954
where:
bonds (distance) C4'-P energy: -96.242
bonds (distance) P-C4' energy: -97.746
flat angles C4'-P-C4' energy: -118.107
flat angles P-C4'-P energy: -77.063
tors. eta vs tors. theta energy: -133.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1409.911467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.911467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.911467 (E_RNA)
where:
Base-Base interactions energy: -918.240
where: short stacking energy: -418.424
Base-Backbone interact. energy: 1.502
local terms energy: -493.173124
where:
bonds (distance) C4'-P energy: -94.257
bonds (distance) P-C4' energy: -101.283
flat angles C4'-P-C4' energy: -109.777
flat angles P-C4'-P energy: -72.369
tors. eta vs tors. theta energy: -115.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1361.858952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.858952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.858952 (E_RNA)
where:
Base-Base interactions energy: -883.703
where: short stacking energy: -390.805
Base-Backbone interact. energy: -1.311
local terms energy: -476.845065
where:
bonds (distance) C4'-P energy: -94.495
bonds (distance) P-C4' energy: -97.017
flat angles C4'-P-C4' energy: -113.327
flat angles P-C4'-P energy: -56.759
tors. eta vs tors. theta energy: -115.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1324.189506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.189506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.189506 (E_RNA)
where:
Base-Base interactions energy: -861.547
where: short stacking energy: -368.924
Base-Backbone interact. energy: -0.390
local terms energy: -462.252455
where:
bonds (distance) C4'-P energy: -78.757
bonds (distance) P-C4' energy: -103.299
flat angles C4'-P-C4' energy: -104.472
flat angles P-C4'-P energy: -71.869
tors. eta vs tors. theta energy: -103.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1026.634343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.634343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.634343 (E_RNA)
where:
Base-Base interactions energy: -615.926
where: short stacking energy: -301.616
Base-Backbone interact. energy: -1.986
local terms energy: -408.722651
where:
bonds (distance) C4'-P energy: -92.136
bonds (distance) P-C4' energy: -85.204
flat angles C4'-P-C4' energy: -90.819
flat angles P-C4'-P energy: -68.270
tors. eta vs tors. theta energy: -72.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -996.773000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.773000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.773000 (E_RNA)
where:
Base-Base interactions energy: -616.082
where: short stacking energy: -307.774
Base-Backbone interact. energy: -2.088
local terms energy: -378.603052
where:
bonds (distance) C4'-P energy: -78.230
bonds (distance) P-C4' energy: -89.585
flat angles C4'-P-C4' energy: -89.992
flat angles P-C4'-P energy: -45.686
tors. eta vs tors. theta energy: -75.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -783.102118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.102118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.102118 (E_RNA)
where:
Base-Base interactions energy: -446.800
where: short stacking energy: -217.666
Base-Backbone interact. energy: 0.712
local terms energy: -337.013601
where:
bonds (distance) C4'-P energy: -75.025
bonds (distance) P-C4' energy: -85.221
flat angles C4'-P-C4' energy: -90.527
flat angles P-C4'-P energy: -52.053
tors. eta vs tors. theta energy: -34.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -583.456409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.456409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.456409 (E_RNA)
where:
Base-Base interactions energy: -301.013
where: short stacking energy: -173.620
Base-Backbone interact. energy: -0.365
local terms energy: -282.487708
where:
bonds (distance) C4'-P energy: -86.849
bonds (distance) P-C4' energy: -77.223
flat angles C4'-P-C4' energy: -66.235
flat angles P-C4'-P energy: -47.413
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.409 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -453.452361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.452361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.452361 (E_RNA)
where:
Base-Base interactions energy: -173.120
where: short stacking energy: -100.163
Base-Backbone interact. energy: 2.338
local terms energy: -282.670084
where:
bonds (distance) C4'-P energy: -89.081
bonds (distance) P-C4' energy: -97.628
flat angles C4'-P-C4' energy: -77.013
flat angles P-C4'-P energy: -48.967
tors. eta vs tors. theta energy: 30.019
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: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1662.861589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.861589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.861589 (E_RNA)
where:
Base-Base interactions energy: -1123.815
where: short stacking energy: -485.967
Base-Backbone interact. energy: -2.134
local terms energy: -536.911655
where:
bonds (distance) C4'-P energy: -101.200
bonds (distance) P-C4' energy: -106.894
flat angles C4'-P-C4' energy: -122.258
flat angles P-C4'-P energy: -67.931
tors. eta vs tors. theta energy: -138.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1517.155538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.155538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.155538 (E_RNA)
where:
Base-Base interactions energy: -1015.909
where: short stacking energy: -449.785
Base-Backbone interact. energy: -0.617
local terms energy: -500.629522
where:
bonds (distance) C4'-P energy: -99.952
bonds (distance) P-C4' energy: -104.098
flat angles C4'-P-C4' energy: -107.778
flat angles P-C4'-P energy: -70.215
tors. eta vs tors. theta energy: -118.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1442.609856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.609856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.609856 (E_RNA)
where:
Base-Base interactions energy: -954.819
where: short stacking energy: -449.687
Base-Backbone interact. energy: -3.271
local terms energy: -484.519463
where:
bonds (distance) C4'-P energy: -88.672
bonds (distance) P-C4' energy: -105.028
flat angles C4'-P-C4' energy: -109.095
flat angles P-C4'-P energy: -66.115
tors. eta vs tors. theta energy: -115.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1388.157590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.157590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.157590 (E_RNA)
where:
Base-Base interactions energy: -938.772
where: short stacking energy: -440.281
Base-Backbone interact. energy: -1.065
local terms energy: -448.321131
where:
bonds (distance) C4'-P energy: -78.014
bonds (distance) P-C4' energy: -86.986
flat angles C4'-P-C4' energy: -108.181
flat angles P-C4'-P energy: -59.061
tors. eta vs tors. theta energy: -116.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1333.083978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.083978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.083978 (E_RNA)
where:
Base-Base interactions energy: -872.952
where: short stacking energy: -402.255
Base-Backbone interact. energy: 1.097
local terms energy: -461.228724
where:
bonds (distance) C4'-P energy: -99.887
bonds (distance) P-C4' energy: -108.342
flat angles C4'-P-C4' energy: -93.948
flat angles P-C4'-P energy: -51.202
tors. eta vs tors. theta energy: -107.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1058.012410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.012410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.012410 (E_RNA)
where:
Base-Base interactions energy: -653.691
where: short stacking energy: -311.235
Base-Backbone interact. energy: 2.710
local terms energy: -407.030734
where:
bonds (distance) C4'-P energy: -83.435
bonds (distance) P-C4' energy: -88.047
flat angles C4'-P-C4' energy: -99.968
flat angles P-C4'-P energy: -62.596
tors. eta vs tors. theta energy: -72.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -979.503913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.503913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.503913 (E_RNA)
where:
Base-Base interactions energy: -588.630
where: short stacking energy: -260.052
Base-Backbone interact. energy: -1.777
local terms energy: -389.096205
where:
bonds (distance) C4'-P energy: -91.101
bonds (distance) P-C4' energy: -94.051
flat angles C4'-P-C4' energy: -87.238
flat angles P-C4'-P energy: -52.681
tors. eta vs tors. theta energy: -64.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -797.174316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.174316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.174316 (E_RNA)
where:
Base-Base interactions energy: -475.190
where: short stacking energy: -222.631
Base-Backbone interact. energy: 2.572
local terms energy: -324.556496
where:
bonds (distance) C4'-P energy: -87.552
bonds (distance) P-C4' energy: -75.317
flat angles C4'-P-C4' energy: -86.130
flat angles P-C4'-P energy: -47.610
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -580.560614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.560614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.560614 (E_RNA)
where:
Base-Base interactions energy: -320.776
where: short stacking energy: -179.081
Base-Backbone interact. energy: 4.833
local terms energy: -264.618233
where:
bonds (distance) C4'-P energy: -58.346
bonds (distance) P-C4' energy: -85.857
flat angles C4'-P-C4' energy: -92.309
flat angles P-C4'-P energy: -35.276
tors. eta vs tors. theta energy: 7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -487.217333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.217333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.217333 (E_RNA)
where:
Base-Base interactions energy: -208.292
where: short stacking energy: -143.048
Base-Backbone interact. energy: 1.011
local terms energy: -279.936303
where:
bonds (distance) C4'-P energy: -73.432
bonds (distance) P-C4' energy: -87.379
flat angles C4'-P-C4' energy: -83.193
flat angles P-C4'-P energy: -49.550
tors. eta vs tors. theta energy: 13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1654.294785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.294785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.294785 (E_RNA)
where:
Base-Base interactions energy: -1130.322
where: short stacking energy: -509.660
Base-Backbone interact. energy: 0.415
local terms energy: -524.387360
where:
bonds (distance) C4'-P energy: -100.452
bonds (distance) P-C4' energy: -98.555
flat angles C4'-P-C4' energy: -116.309
flat angles P-C4'-P energy: -71.147
tors. eta vs tors. theta energy: -137.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1507.166398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.166398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.166398 (E_RNA)
where:
Base-Base interactions energy: -989.145
where: short stacking energy: -460.188
Base-Backbone interact. energy: -2.316
local terms energy: -515.705517
where:
bonds (distance) C4'-P energy: -105.681
bonds (distance) P-C4' energy: -92.095
flat angles C4'-P-C4' energy: -112.963
flat angles P-C4'-P energy: -75.983
tors. eta vs tors. theta energy: -128.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1455.774519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.774519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.774519 (E_RNA)
where:
Base-Base interactions energy: -945.250
where: short stacking energy: -459.369
Base-Backbone interact. energy: -0.840
local terms energy: -509.683843
where:
bonds (distance) C4'-P energy: -98.450
bonds (distance) P-C4' energy: -98.305
flat angles C4'-P-C4' energy: -109.708
flat angles P-C4'-P energy: -64.585
tors. eta vs tors. theta energy: -138.636
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: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1359.255763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.255763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.255763 (E_RNA)
where:
Base-Base interactions energy: -888.176
where: short stacking energy: -408.789
Base-Backbone interact. energy: -1.404
local terms energy: -469.676310
where:
bonds (distance) C4'-P energy: -97.551
bonds (distance) P-C4' energy: -92.631
flat angles C4'-P-C4' energy: -99.202
flat angles P-C4'-P energy: -57.650
tors. eta vs tors. theta energy: -122.641
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: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1314.813811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.813811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.813811 (E_RNA)
where:
Base-Base interactions energy: -879.967
where: short stacking energy: -392.235
Base-Backbone interact. energy: 0.957
local terms energy: -435.803934
where:
bonds (distance) C4'-P energy: -69.615
bonds (distance) P-C4' energy: -89.183
flat angles C4'-P-C4' energy: -106.797
flat angles P-C4'-P energy: -72.803
tors. eta vs tors. theta energy: -97.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1166.264944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.264944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.264944 (E_RNA)
where:
Base-Base interactions energy: -724.733
where: short stacking energy: -337.529
Base-Backbone interact. energy: -1.521
local terms energy: -440.010432
where:
bonds (distance) C4'-P energy: -91.677
bonds (distance) P-C4' energy: -93.211
flat angles C4'-P-C4' energy: -100.120
flat angles P-C4'-P energy: -61.174
tors. eta vs tors. theta energy: -93.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -984.691422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.691422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.691422 (E_RNA)
where:
Base-Base interactions energy: -617.671
where: short stacking energy: -284.827
Base-Backbone interact. energy: 0.254
local terms energy: -367.274327
where:
bonds (distance) C4'-P energy: -95.026
bonds (distance) P-C4' energy: -90.654
flat angles C4'-P-C4' energy: -85.082
flat angles P-C4'-P energy: -45.945
tors. eta vs tors. theta energy: -50.567
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: 111
Temperature: 1.250000
Total energy: -807.488560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.488560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.488560 (E_RNA)
where:
Base-Base interactions energy: -459.870
where: short stacking energy: -230.546
Base-Backbone interact. energy: 0.921
local terms energy: -348.539577
where:
bonds (distance) C4'-P energy: -93.544
bonds (distance) P-C4' energy: -89.117
flat angles C4'-P-C4' energy: -78.447
flat angles P-C4'-P energy: -58.239
tors. eta vs tors. theta energy: -29.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -581.470780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.470780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.470780 (E_RNA)
where:
Base-Base interactions energy: -280.782
where: short stacking energy: -183.653
Base-Backbone interact. energy: 0.161
local terms energy: -300.849675
where:
bonds (distance) C4'-P energy: -89.176
bonds (distance) P-C4' energy: -78.110
flat angles C4'-P-C4' energy: -57.276
flat angles P-C4'-P energy: -72.731
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -464.429472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.429472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.429472 (E_RNA)
where:
Base-Base interactions energy: -190.715
where: short stacking energy: -105.083
Base-Backbone interact. energy: 1.943
local terms energy: -275.656866
where:
bonds (distance) C4'-P energy: -81.488
bonds (distance) P-C4' energy: -88.271
flat angles C4'-P-C4' energy: -73.739
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: 26.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1648.428986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.428986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.428986 (E_RNA)
where:
Base-Base interactions energy: -1122.831
where: short stacking energy: -483.482
Base-Backbone interact. energy: -1.301
local terms energy: -524.297293
where:
bonds (distance) C4'-P energy: -96.928
bonds (distance) P-C4' energy: -102.915
flat angles C4'-P-C4' energy: -119.360
flat angles P-C4'-P energy: -73.774
tors. eta vs tors. theta energy: -131.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1551.793317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.793317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.793317 (E_RNA)
where:
Base-Base interactions energy: -1035.007
where: short stacking energy: -465.198
Base-Backbone interact. energy: -3.301
local terms energy: -513.485792
where:
bonds (distance) C4'-P energy: -94.774
bonds (distance) P-C4' energy: -103.277
flat angles C4'-P-C4' energy: -118.390
flat angles P-C4'-P energy: -65.440
tors. eta vs tors. theta energy: -131.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1409.124784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.124784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.124784 (E_RNA)
where:
Base-Base interactions energy: -920.627
where: short stacking energy: -450.250
Base-Backbone interact. energy: -1.850
local terms energy: -486.647052
where:
bonds (distance) C4'-P energy: -96.934
bonds (distance) P-C4' energy: -102.835
flat angles C4'-P-C4' energy: -102.272
flat angles P-C4'-P energy: -65.643
tors. eta vs tors. theta energy: -118.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1323.015535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.015535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.015535 (E_RNA)
where:
Base-Base interactions energy: -867.293
where: short stacking energy: -373.609
Base-Backbone interact. energy: -0.074
local terms energy: -455.648847
where:
bonds (distance) C4'-P energy: -107.333
bonds (distance) P-C4' energy: -100.482
flat angles C4'-P-C4' energy: -95.062
flat angles P-C4'-P energy: -53.803
tors. eta vs tors. theta energy: -98.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1275.605130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.605130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.605130 (E_RNA)
where:
Base-Base interactions energy: -833.465
where: short stacking energy: -389.910
Base-Backbone interact. energy: 1.628
local terms energy: -443.768990
where:
bonds (distance) C4'-P energy: -76.282
bonds (distance) P-C4' energy: -111.171
flat angles C4'-P-C4' energy: -90.649
flat angles P-C4'-P energy: -67.694
tors. eta vs tors. theta energy: -97.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1119.681419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.681419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.681419 (E_RNA)
where:
Base-Base interactions energy: -714.155
where: short stacking energy: -336.830
Base-Backbone interact. energy: -0.837
local terms energy: -404.689601
where:
bonds (distance) C4'-P energy: -88.262
bonds (distance) P-C4' energy: -87.739
flat angles C4'-P-C4' energy: -86.708
flat angles P-C4'-P energy: -55.734
tors. eta vs tors. theta energy: -86.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1025.348894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.348894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.348894 (E_RNA)
where:
Base-Base interactions energy: -637.630
where: short stacking energy: -294.680
Base-Backbone interact. energy: -0.289
local terms energy: -387.430525
where:
bonds (distance) C4'-P energy: -87.649
bonds (distance) P-C4' energy: -96.360
flat angles C4'-P-C4' energy: -93.106
flat angles P-C4'-P energy: -51.918
tors. eta vs tors. theta energy: -58.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -831.322880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.322880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.322880 (E_RNA)
where:
Base-Base interactions energy: -513.839
where: short stacking energy: -241.350
Base-Backbone interact. energy: 2.000
local terms energy: -319.483570
where:
bonds (distance) C4'-P energy: -88.187
bonds (distance) P-C4' energy: -69.060
flat angles C4'-P-C4' energy: -84.330
flat angles P-C4'-P energy: -47.093
tors. eta vs tors. theta energy: -30.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -583.771148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.771148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.771148 (E_RNA)
where:
Base-Base interactions energy: -275.902
where: short stacking energy: -166.188
Base-Backbone interact. energy: 1.010
local terms energy: -308.879303
where:
bonds (distance) C4'-P energy: -64.693
bonds (distance) P-C4' energy: -91.989
flat angles C4'-P-C4' energy: -83.192
flat angles P-C4'-P energy: -55.554
tors. eta vs tors. theta energy: -13.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -449.128075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.128075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.128075 (E_RNA)
where:
Base-Base interactions energy: -204.230
where: short stacking energy: -141.641
Base-Backbone interact. energy: 0.309
local terms energy: -245.207576
where:
bonds (distance) C4'-P energy: -68.005
bonds (distance) P-C4' energy: -80.999
flat angles C4'-P-C4' energy: -68.984
flat angles P-C4'-P energy: -43.770
tors. eta vs tors. theta energy: 16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1684.721848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.721848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.721848 (E_RNA)
where:
Base-Base interactions energy: -1179.865
where: short stacking energy: -510.274
Base-Backbone interact. energy: -4.538
local terms energy: -500.319088
where:
bonds (distance) C4'-P energy: -86.244
bonds (distance) P-C4' energy: -99.678
flat angles C4'-P-C4' energy: -104.701
flat angles P-C4'-P energy: -77.068
tors. eta vs tors. theta energy: -132.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1510.483300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.483300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.483300 (E_RNA)
where:
Base-Base interactions energy: -1005.179
where: short stacking energy: -444.553
Base-Backbone interact. energy: -2.460
local terms energy: -502.844607
where:
bonds (distance) C4'-P energy: -96.251
bonds (distance) P-C4' energy: -96.876
flat angles C4'-P-C4' energy: -108.112
flat angles P-C4'-P energy: -77.801
tors. eta vs tors. theta energy: -123.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1445.636702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.636702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.636702 (E_RNA)
where:
Base-Base interactions energy: -943.790
where: short stacking energy: -460.163
Base-Backbone interact. energy: -0.500
local terms energy: -501.346792
where:
bonds (distance) C4'-P energy: -95.759
bonds (distance) P-C4' energy: -104.465
flat angles C4'-P-C4' energy: -104.123
flat angles P-C4'-P energy: -63.412
tors. eta vs tors. theta energy: -133.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1361.884451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.884451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.884451 (E_RNA)
where:
Base-Base interactions energy: -869.503
where: short stacking energy: -394.220
Base-Backbone interact. energy: 1.033
local terms energy: -493.414783
where:
bonds (distance) C4'-P energy: -97.099
bonds (distance) P-C4' energy: -107.396
flat angles C4'-P-C4' energy: -108.585
flat angles P-C4'-P energy: -64.721
tors. eta vs tors. theta energy: -115.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1286.654847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.654847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.654847 (E_RNA)
where:
Base-Base interactions energy: -854.514
where: short stacking energy: -393.361
Base-Backbone interact. energy: -0.627
local terms energy: -431.514148
where:
bonds (distance) C4'-P energy: -65.711
bonds (distance) P-C4' energy: -98.099
flat angles C4'-P-C4' energy: -99.465
flat angles P-C4'-P energy: -70.211
tors. eta vs tors. theta energy: -98.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1112.597235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.597235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.597235 (E_RNA)
where:
Base-Base interactions energy: -700.943
where: short stacking energy: -333.240
Base-Backbone interact. energy: 4.540
local terms energy: -416.194101
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -89.887
flat angles C4'-P-C4' energy: -91.689
flat angles P-C4'-P energy: -63.385
tors. eta vs tors. theta energy: -79.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1085.816434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.816434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.816434 (E_RNA)
where:
Base-Base interactions energy: -686.847
where: short stacking energy: -311.064
Base-Backbone interact. energy: -2.760
local terms energy: -396.208620
where:
bonds (distance) C4'-P energy: -94.382
bonds (distance) P-C4' energy: -86.443
flat angles C4'-P-C4' energy: -77.348
flat angles P-C4'-P energy: -65.030
tors. eta vs tors. theta energy: -73.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -817.192370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.192370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.192370 (E_RNA)
where:
Base-Base interactions energy: -466.513
where: short stacking energy: -221.149
Base-Backbone interact. energy: -0.870
local terms energy: -349.809527
where:
bonds (distance) C4'-P energy: -79.275
bonds (distance) P-C4' energy: -99.368
flat angles C4'-P-C4' energy: -80.014
flat angles P-C4'-P energy: -52.824
tors. eta vs tors. theta energy: -38.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -577.925974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.925974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.925974 (E_RNA)
where:
Base-Base interactions energy: -272.730
where: short stacking energy: -153.794
Base-Backbone interact. energy: -1.379
local terms energy: -303.816696
where:
bonds (distance) C4'-P energy: -76.249
bonds (distance) P-C4' energy: -105.604
flat angles C4'-P-C4' energy: -86.373
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -3.288
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: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -442.592168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.592168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.592168 (E_RNA)
where:
Base-Base interactions energy: -170.463
where: short stacking energy: -102.362
Base-Backbone interact. energy: -1.392
local terms energy: -270.737605
where:
bonds (distance) C4'-P energy: -82.049
bonds (distance) P-C4' energy: -79.987
flat angles C4'-P-C4' energy: -82.101
flat angles P-C4'-P energy: -39.158
tors. eta vs tors. theta energy: 12.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1680.581578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.581578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.581578 (E_RNA)
where:
Base-Base interactions energy: -1151.921
where: short stacking energy: -508.074
Base-Backbone interact. energy: -2.131
local terms energy: -526.529662
where:
bonds (distance) C4'-P energy: -101.350
bonds (distance) P-C4' energy: -107.747
flat angles C4'-P-C4' energy: -103.373
flat angles P-C4'-P energy: -70.525
tors. eta vs tors. theta energy: -143.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1512.297880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.297880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.297880 (E_RNA)
where:
Base-Base interactions energy: -999.380
where: short stacking energy: -461.756
Base-Backbone interact. energy: -3.795
local terms energy: -509.123035
where:
bonds (distance) C4'-P energy: -109.123
bonds (distance) P-C4' energy: -101.887
flat angles C4'-P-C4' energy: -101.720
flat angles P-C4'-P energy: -56.429
tors. eta vs tors. theta energy: -139.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1441.448395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.448395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.448395 (E_RNA)
where:
Base-Base interactions energy: -949.930
where: short stacking energy: -464.629
Base-Backbone interact. energy: 3.651
local terms energy: -495.169223
where:
bonds (distance) C4'-P energy: -85.515
bonds (distance) P-C4' energy: -87.816
flat angles C4'-P-C4' energy: -106.771
flat angles P-C4'-P energy: -80.441
tors. eta vs tors. theta energy: -134.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1354.190626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.190626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.190626 (E_RNA)
where:
Base-Base interactions energy: -881.307
where: short stacking energy: -406.283
Base-Backbone interact. energy: -1.149
local terms energy: -471.734317
where:
bonds (distance) C4'-P energy: -97.907
bonds (distance) P-C4' energy: -98.727
flat angles C4'-P-C4' energy: -109.936
flat angles P-C4'-P energy: -50.306
tors. eta vs tors. theta energy: -114.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1280.747463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.747463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.747463 (E_RNA)
where:
Base-Base interactions energy: -817.605
where: short stacking energy: -348.589
Base-Backbone interact. energy: -0.458
local terms energy: -462.684687
where:
bonds (distance) C4'-P energy: -108.608
bonds (distance) P-C4' energy: -94.300
flat angles C4'-P-C4' energy: -95.601
flat angles P-C4'-P energy: -76.793
tors. eta vs tors. theta energy: -87.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1109.150151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.150151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.150151 (E_RNA)
where:
Base-Base interactions energy: -688.132
where: short stacking energy: -330.631
Base-Backbone interact. energy: -1.405
local terms energy: -419.612392
where:
bonds (distance) C4'-P energy: -100.689
bonds (distance) P-C4' energy: -89.418
flat angles C4'-P-C4' energy: -90.126
flat angles P-C4'-P energy: -60.555
tors. eta vs tors. theta energy: -78.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1066.838090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.838090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.838090 (E_RNA)
where:
Base-Base interactions energy: -648.535
where: short stacking energy: -322.475
Base-Backbone interact. energy: -1.560
local terms energy: -416.742710
where:
bonds (distance) C4'-P energy: -95.802
bonds (distance) P-C4' energy: -84.471
flat angles C4'-P-C4' energy: -93.960
flat angles P-C4'-P energy: -63.364
tors. eta vs tors. theta energy: -79.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -823.652470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.652470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.652470 (E_RNA)
where:
Base-Base interactions energy: -481.127
where: short stacking energy: -240.599
Base-Backbone interact. energy: -1.326
local terms energy: -341.200224
where:
bonds (distance) C4'-P energy: -85.033
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -88.684
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: -33.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -562.065159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.065159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.065159 (E_RNA)
where:
Base-Base interactions energy: -260.280
where: short stacking energy: -153.392
Base-Backbone interact. energy: -0.297
local terms energy: -301.488257
where:
bonds (distance) C4'-P energy: -86.137
bonds (distance) P-C4' energy: -89.536
flat angles C4'-P-C4' energy: -77.000
flat angles P-C4'-P energy: -35.535
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -481.641528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.641528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.641528 (E_RNA)
where:
Base-Base interactions energy: -226.198
where: short stacking energy: -136.478
Base-Backbone interact. energy: -1.618
local terms energy: -253.826048
where:
bonds (distance) C4'-P energy: -77.408
bonds (distance) P-C4' energy: -92.358
flat angles C4'-P-C4' energy: -65.182
flat angles P-C4'-P energy: -28.379
tors. eta vs tors. theta energy: 9.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1708.228235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.228235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.228235 (E_RNA)
where:
Base-Base interactions energy: -1161.664
where: short stacking energy: -521.926
Base-Backbone interact. energy: -0.855
local terms energy: -545.708689
where:
bonds (distance) C4'-P energy: -102.918
bonds (distance) P-C4' energy: -106.437
flat angles C4'-P-C4' energy: -115.088
flat angles P-C4'-P energy: -68.781
tors. eta vs tors. theta energy: -152.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1526.163611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.163611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.163611 (E_RNA)
where:
Base-Base interactions energy: -1036.735
where: short stacking energy: -430.582
Base-Backbone interact. energy: -1.719
local terms energy: -487.709188
where:
bonds (distance) C4'-P energy: -95.135
bonds (distance) P-C4' energy: -98.585
flat angles C4'-P-C4' energy: -109.650
flat angles P-C4'-P energy: -62.526
tors. eta vs tors. theta energy: -121.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1422.885199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.885199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.885199 (E_RNA)
where:
Base-Base interactions energy: -952.368
where: short stacking energy: -434.998
Base-Backbone interact. energy: 1.944
local terms energy: -472.461318
where:
bonds (distance) C4'-P energy: -95.043
bonds (distance) P-C4' energy: -85.464
flat angles C4'-P-C4' energy: -102.202
flat angles P-C4'-P energy: -67.576
tors. eta vs tors. theta energy: -122.176
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: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1306.955587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.955587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.955587 (E_RNA)
where:
Base-Base interactions energy: -837.796
where: short stacking energy: -379.226
Base-Backbone interact. energy: -0.424
local terms energy: -468.735898
where:
bonds (distance) C4'-P energy: -96.243
bonds (distance) P-C4' energy: -91.843
flat angles C4'-P-C4' energy: -91.275
flat angles P-C4'-P energy: -72.586
tors. eta vs tors. theta energy: -116.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1281.251804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.251804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.251804 (E_RNA)
where:
Base-Base interactions energy: -839.285
where: short stacking energy: -367.731
Base-Backbone interact. energy: -1.439
local terms energy: -440.527878
where:
bonds (distance) C4'-P energy: -91.557
bonds (distance) P-C4' energy: -94.779
flat angles C4'-P-C4' energy: -101.706
flat angles P-C4'-P energy: -61.951
tors. eta vs tors. theta energy: -90.535
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: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1096.312049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.312049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.312049 (E_RNA)
where:
Base-Base interactions energy: -701.207
where: short stacking energy: -338.701
Base-Backbone interact. energy: 1.402
local terms energy: -396.506621
where:
bonds (distance) C4'-P energy: -93.353
bonds (distance) P-C4' energy: -97.042
flat angles C4'-P-C4' energy: -83.267
flat angles P-C4'-P energy: -40.559
tors. eta vs tors. theta energy: -82.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1011.115194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.115194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.115194 (E_RNA)
where:
Base-Base interactions energy: -643.248
where: short stacking energy: -315.451
Base-Backbone interact. energy: -0.630
local terms energy: -367.237837
where:
bonds (distance) C4'-P energy: -79.259
bonds (distance) P-C4' energy: -89.118
flat angles C4'-P-C4' energy: -85.812
flat angles P-C4'-P energy: -52.727
tors. eta vs tors. theta energy: -60.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -830.122969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.122969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.122969 (E_RNA)
where:
Base-Base interactions energy: -463.188
where: short stacking energy: -221.068
Base-Backbone interact. energy: -1.233
local terms energy: -365.702608
where:
bonds (distance) C4'-P energy: -93.869
bonds (distance) P-C4' energy: -93.160
flat angles C4'-P-C4' energy: -89.071
flat angles P-C4'-P energy: -53.871
tors. eta vs tors. theta energy: -35.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -607.895695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.895695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.895695 (E_RNA)
where:
Base-Base interactions energy: -321.347
where: short stacking energy: -189.668
Base-Backbone interact. energy: -1.556
local terms energy: -284.992263
where:
bonds (distance) C4'-P energy: -82.576
bonds (distance) P-C4' energy: -91.113
flat angles C4'-P-C4' energy: -58.548
flat angles P-C4'-P energy: -40.572
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: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -465.938329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.938329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.938329 (E_RNA)
where:
Base-Base interactions energy: -194.151
where: short stacking energy: -124.434
Base-Backbone interact. energy: -0.430
local terms energy: -271.358098
where:
bonds (distance) C4'-P energy: -83.579
bonds (distance) P-C4' energy: -83.972
flat angles C4'-P-C4' energy: -80.722
flat angles P-C4'-P energy: -30.743
tors. eta vs tors. theta energy: 7.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1679.177623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.177623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.177623 (E_RNA)
where:
Base-Base interactions energy: -1124.758
where: short stacking energy: -509.521
Base-Backbone interact. energy: -2.901
local terms energy: -551.518794
where:
bonds (distance) C4'-P energy: -103.353
bonds (distance) P-C4' energy: -105.320
flat angles C4'-P-C4' energy: -111.659
flat angles P-C4'-P energy: -82.387
tors. eta vs tors. theta energy: -148.800
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: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1529.252235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.252235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.252235 (E_RNA)
where:
Base-Base interactions energy: -1033.395
where: short stacking energy: -454.798
Base-Backbone interact. energy: -1.651
local terms energy: -494.206211
where:
bonds (distance) C4'-P energy: -105.908
bonds (distance) P-C4' energy: -100.624
flat angles C4'-P-C4' energy: -101.772
flat angles P-C4'-P energy: -69.248
tors. eta vs tors. theta energy: -116.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1438.463569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.463569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.463569 (E_RNA)
where:
Base-Base interactions energy: -967.847
where: short stacking energy: -428.520
Base-Backbone interact. energy: -0.501
local terms energy: -470.115516
where:
bonds (distance) C4'-P energy: -87.257
bonds (distance) P-C4' energy: -100.655
flat angles C4'-P-C4' energy: -101.255
flat angles P-C4'-P energy: -67.321
tors. eta vs tors. theta energy: -113.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1298.305362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.305362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.305362 (E_RNA)
where:
Base-Base interactions energy: -844.406
where: short stacking energy: -395.549
Base-Backbone interact. energy: -1.161
local terms energy: -452.738841
where:
bonds (distance) C4'-P energy: -97.616
bonds (distance) P-C4' energy: -103.937
flat angles C4'-P-C4' energy: -89.494
flat angles P-C4'-P energy: -49.431
tors. eta vs tors. theta energy: -112.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1313.897292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.897292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.897292 (E_RNA)
where:
Base-Base interactions energy: -869.941
where: short stacking energy: -381.599
Base-Backbone interact. energy: -1.439
local terms energy: -442.517047
where:
bonds (distance) C4'-P energy: -98.321
bonds (distance) P-C4' energy: -85.182
flat angles C4'-P-C4' energy: -88.318
flat angles P-C4'-P energy: -70.868
tors. eta vs tors. theta energy: -99.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1170.379234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.379234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.379234 (E_RNA)
where:
Base-Base interactions energy: -749.059
where: short stacking energy: -339.651
Base-Backbone interact. energy: -2.536
local terms energy: -418.783926
where:
bonds (distance) C4'-P energy: -94.631
bonds (distance) P-C4' energy: -87.866
flat angles C4'-P-C4' energy: -90.914
flat angles P-C4'-P energy: -64.921
tors. eta vs tors. theta energy: -80.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1037.855237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.855237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.855237 (E_RNA)
where:
Base-Base interactions energy: -635.120
where: short stacking energy: -297.282
Base-Backbone interact. energy: -0.858
local terms energy: -401.876809
where:
bonds (distance) C4'-P energy: -93.234
bonds (distance) P-C4' energy: -85.708
flat angles C4'-P-C4' energy: -97.924
flat angles P-C4'-P energy: -56.439
tors. eta vs tors. theta energy: -68.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -815.058410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.058410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.058410 (E_RNA)
where:
Base-Base interactions energy: -480.056
where: short stacking energy: -228.855
Base-Backbone interact. energy: -3.284
local terms energy: -331.718119
where:
bonds (distance) C4'-P energy: -84.107
bonds (distance) P-C4' energy: -84.102
flat angles C4'-P-C4' energy: -96.846
flat angles P-C4'-P energy: -48.551
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -617.661617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.661617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.661617 (E_RNA)
where:
Base-Base interactions energy: -305.651
where: short stacking energy: -190.436
Base-Backbone interact. energy: -1.436
local terms energy: -310.574417
where:
bonds (distance) C4'-P energy: -67.428
bonds (distance) P-C4' energy: -98.362
flat angles C4'-P-C4' energy: -76.966
flat angles P-C4'-P energy: -37.746
tors. eta vs tors. theta energy: -30.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -502.543541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.543541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.543541 (E_RNA)
where:
Base-Base interactions energy: -205.626
where: short stacking energy: -116.144
Base-Backbone interact. energy: 1.159
local terms energy: -298.075917
where:
bonds (distance) C4'-P energy: -98.874
bonds (distance) P-C4' energy: -87.077
flat angles C4'-P-C4' energy: -70.731
flat angles P-C4'-P energy: -59.006
tors. eta vs tors. theta energy: 17.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1665.143511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.143511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.143511 (E_RNA)
where:
Base-Base interactions energy: -1123.082
where: short stacking energy: -513.726
Base-Backbone interact. energy: -2.658
local terms energy: -539.403048
where:
bonds (distance) C4'-P energy: -96.200
bonds (distance) P-C4' energy: -107.302
flat angles C4'-P-C4' energy: -117.406
flat angles P-C4'-P energy: -81.748
tors. eta vs tors. theta energy: -136.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1553.644384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.644384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.644384 (E_RNA)
where:
Base-Base interactions energy: -1052.521
where: short stacking energy: -476.267
Base-Backbone interact. energy: -2.211
local terms energy: -498.912292
where:
bonds (distance) C4'-P energy: -107.347
bonds (distance) P-C4' energy: -91.985
flat angles C4'-P-C4' energy: -105.103
flat angles P-C4'-P energy: -63.557
tors. eta vs tors. theta energy: -130.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1481.609642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.609642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.609642 (E_RNA)
where:
Base-Base interactions energy: -991.909
where: short stacking energy: -463.916
Base-Backbone interact. energy: 0.411
local terms energy: -490.111635
where:
bonds (distance) C4'-P energy: -87.863
bonds (distance) P-C4' energy: -92.924
flat angles C4'-P-C4' energy: -95.701
flat angles P-C4'-P energy: -81.978
tors. eta vs tors. theta energy: -131.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1353.345089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.345089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.345089 (E_RNA)
where:
Base-Base interactions energy: -862.672
where: short stacking energy: -380.186
Base-Backbone interact. energy: -1.377
local terms energy: -489.295279
where:
bonds (distance) C4'-P energy: -100.411
bonds (distance) P-C4' energy: -95.936
flat angles C4'-P-C4' energy: -116.660
flat angles P-C4'-P energy: -71.948
tors. eta vs tors. theta energy: -104.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1227.999754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.999754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.999754 (E_RNA)
where:
Base-Base interactions energy: -787.935
where: short stacking energy: -368.889
Base-Backbone interact. energy: 0.675
local terms energy: -440.740485
where:
bonds (distance) C4'-P energy: -87.126
bonds (distance) P-C4' energy: -94.022
flat angles C4'-P-C4' energy: -96.929
flat angles P-C4'-P energy: -58.039
tors. eta vs tors. theta energy: -104.624
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: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1144.658204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.658204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.658204 (E_RNA)
where:
Base-Base interactions energy: -754.231
where: short stacking energy: -346.301
Base-Backbone interact. energy: -0.523
local terms energy: -389.903910
where:
bonds (distance) C4'-P energy: -82.256
bonds (distance) P-C4' energy: -93.965
flat angles C4'-P-C4' energy: -81.236
flat angles P-C4'-P energy: -55.022
tors. eta vs tors. theta energy: -77.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1034.230048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.230048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.230048 (E_RNA)
where:
Base-Base interactions energy: -656.694
where: short stacking energy: -307.939
Base-Backbone interact. energy: -0.561
local terms energy: -376.975005
where:
bonds (distance) C4'-P energy: -83.611
bonds (distance) P-C4' energy: -92.062
flat angles C4'-P-C4' energy: -85.426
flat angles P-C4'-P energy: -51.005
tors. eta vs tors. theta energy: -64.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -786.178881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.178881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.178881 (E_RNA)
where:
Base-Base interactions energy: -477.061
where: short stacking energy: -209.550
Base-Backbone interact. energy: 2.324
local terms energy: -311.441927
where:
bonds (distance) C4'-P energy: -82.631
bonds (distance) P-C4' energy: -78.493
flat angles C4'-P-C4' energy: -81.428
flat angles P-C4'-P energy: -55.109
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -626.042843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.042843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.042843 (E_RNA)
where:
Base-Base interactions energy: -288.629
where: short stacking energy: -164.181
Base-Backbone interact. energy: 3.612
local terms energy: -341.025676
where:
bonds (distance) C4'-P energy: -85.741
bonds (distance) P-C4' energy: -101.125
flat angles C4'-P-C4' energy: -82.902
flat angles P-C4'-P energy: -57.102
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -485.116768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.116768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.116768 (E_RNA)
where:
Base-Base interactions energy: -204.041
where: short stacking energy: -134.293
Base-Backbone interact. energy: 2.517
local terms energy: -283.592422
where:
bonds (distance) C4'-P energy: -84.325
bonds (distance) P-C4' energy: -85.533
flat angles C4'-P-C4' energy: -83.749
flat angles P-C4'-P energy: -42.820
tors. eta vs tors. theta energy: 12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1650.193430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.193430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.193430 (E_RNA)
where:
Base-Base interactions energy: -1104.608
where: short stacking energy: -494.015
Base-Backbone interact. energy: 4.861
local terms energy: -550.446121
where:
bonds (distance) C4'-P energy: -103.681
bonds (distance) P-C4' energy: -105.587
flat angles C4'-P-C4' energy: -115.271
flat angles P-C4'-P energy: -85.188
tors. eta vs tors. theta energy: -140.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1551.618607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.618607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.618607 (E_RNA)
where:
Base-Base interactions energy: -1060.912
where: short stacking energy: -452.542
Base-Backbone interact. energy: 0.477
local terms energy: -491.184193
where:
bonds (distance) C4'-P energy: -101.212
bonds (distance) P-C4' energy: -97.651
flat angles C4'-P-C4' energy: -102.146
flat angles P-C4'-P energy: -66.991
tors. eta vs tors. theta energy: -123.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1544.016783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.016783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.016783 (E_RNA)
where:
Base-Base interactions energy: -1020.304
where: short stacking energy: -437.693
Base-Backbone interact. energy: -1.674
local terms energy: -522.038759
where:
bonds (distance) C4'-P energy: -104.705
bonds (distance) P-C4' energy: -99.810
flat angles C4'-P-C4' energy: -107.009
flat angles P-C4'-P energy: -69.228
tors. eta vs tors. theta energy: -141.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1357.879691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.879691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.879691 (E_RNA)
where:
Base-Base interactions energy: -901.746
where: short stacking energy: -380.198
Base-Backbone interact. energy: -1.852
local terms energy: -454.281818
where:
bonds (distance) C4'-P energy: -96.387
bonds (distance) P-C4' energy: -100.916
flat angles C4'-P-C4' energy: -85.892
flat angles P-C4'-P energy: -61.151
tors. eta vs tors. theta energy: -109.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1239.008985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.008985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.008985 (E_RNA)
where:
Base-Base interactions energy: -794.454
where: short stacking energy: -372.922
Base-Backbone interact. energy: -1.094
local terms energy: -443.461966
where:
bonds (distance) C4'-P energy: -95.647
bonds (distance) P-C4' energy: -97.525
flat angles C4'-P-C4' energy: -91.094
flat angles P-C4'-P energy: -64.818
tors. eta vs tors. theta energy: -94.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1064.228744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.228744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.228744 (E_RNA)
where:
Base-Base interactions energy: -642.489
where: short stacking energy: -329.457
Base-Backbone interact. energy: 1.258
local terms energy: -422.997716
where:
bonds (distance) C4'-P energy: -90.346
bonds (distance) P-C4' energy: -110.750
flat angles C4'-P-C4' energy: -95.746
flat angles P-C4'-P energy: -62.882
tors. eta vs tors. theta energy: -63.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -987.597258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.597258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.597258 (E_RNA)
where:
Base-Base interactions energy: -600.524
where: short stacking energy: -267.428
Base-Backbone interact. energy: -1.388
local terms energy: -385.685284
where:
bonds (distance) C4'-P energy: -78.403
bonds (distance) P-C4' energy: -97.598
flat angles C4'-P-C4' energy: -87.886
flat angles P-C4'-P energy: -60.534
tors. eta vs tors. theta energy: -61.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -792.330600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.330600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.330600 (E_RNA)
where:
Base-Base interactions energy: -457.419
where: short stacking energy: -213.776
Base-Backbone interact. energy: -1.317
local terms energy: -333.594796
where:
bonds (distance) C4'-P energy: -79.416
bonds (distance) P-C4' energy: -84.163
flat angles C4'-P-C4' energy: -75.990
flat angles P-C4'-P energy: -56.224
tors. eta vs tors. theta energy: -37.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -615.279388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.279388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.279388 (E_RNA)
where:
Base-Base interactions energy: -306.060
where: short stacking energy: -172.312
Base-Backbone interact. energy: -2.341
local terms energy: -306.878593
where:
bonds (distance) C4'-P energy: -89.365
bonds (distance) P-C4' energy: -88.340
flat angles C4'-P-C4' energy: -67.982
flat angles P-C4'-P energy: -56.809
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -498.725604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.725604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.725604 (E_RNA)
where:
Base-Base interactions energy: -194.608
where: short stacking energy: -138.710
Base-Backbone interact. energy: 0.040
local terms energy: -304.158105
where:
bonds (distance) C4'-P energy: -83.940
bonds (distance) P-C4' energy: -89.341
flat angles C4'-P-C4' energy: -81.781
flat angles P-C4'-P energy: -42.682
tors. eta vs tors. theta energy: -6.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1613.878631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.878631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.878631 (E_RNA)
where:
Base-Base interactions energy: -1071.255
where: short stacking energy: -482.048
Base-Backbone interact. energy: -1.225
local terms energy: -541.398701
where:
bonds (distance) C4'-P energy: -104.013
bonds (distance) P-C4' energy: -107.522
flat angles C4'-P-C4' energy: -101.198
flat angles P-C4'-P energy: -87.766
tors. eta vs tors. theta energy: -140.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1547.819594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.819594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.819594 (E_RNA)
where:
Base-Base interactions energy: -1023.508
where: short stacking energy: -453.631
Base-Backbone interact. energy: -0.633
local terms energy: -523.679087
where:
bonds (distance) C4'-P energy: -93.678
bonds (distance) P-C4' energy: -108.257
flat angles C4'-P-C4' energy: -115.074
flat angles P-C4'-P energy: -76.836
tors. eta vs tors. theta energy: -129.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1501.543200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.543200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.543200 (E_RNA)
where:
Base-Base interactions energy: -1017.423
where: short stacking energy: -442.689
Base-Backbone interact. energy: 0.459
local terms energy: -484.579264
where:
bonds (distance) C4'-P energy: -85.069
bonds (distance) P-C4' energy: -106.497
flat angles C4'-P-C4' energy: -92.428
flat angles P-C4'-P energy: -67.836
tors. eta vs tors. theta energy: -132.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1366.476146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.476146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.476146 (E_RNA)
where:
Base-Base interactions energy: -900.492
where: short stacking energy: -371.882
Base-Backbone interact. energy: -0.521
local terms energy: -465.463055
where:
bonds (distance) C4'-P energy: -91.194
bonds (distance) P-C4' energy: -90.285
flat angles C4'-P-C4' energy: -110.986
flat angles P-C4'-P energy: -73.129
tors. eta vs tors. theta energy: -99.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1268.917736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.917736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.917736 (E_RNA)
where:
Base-Base interactions energy: -812.592
where: short stacking energy: -367.686
Base-Backbone interact. energy: -0.954
local terms energy: -455.372213
where:
bonds (distance) C4'-P energy: -99.773
bonds (distance) P-C4' energy: -105.415
flat angles C4'-P-C4' energy: -96.633
flat angles P-C4'-P energy: -57.920
tors. eta vs tors. theta energy: -95.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1042.912535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.912535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.912535 (E_RNA)
where:
Base-Base interactions energy: -653.699
where: short stacking energy: -314.165
Base-Backbone interact. energy: 0.590
local terms energy: -389.804198
where:
bonds (distance) C4'-P energy: -86.322
bonds (distance) P-C4' energy: -95.465
flat angles C4'-P-C4' energy: -83.221
flat angles P-C4'-P energy: -58.263
tors. eta vs tors. theta energy: -66.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1022.435194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.435194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.435194 (E_RNA)
where:
Base-Base interactions energy: -640.595
where: short stacking energy: -285.187
Base-Backbone interact. energy: -1.428
local terms energy: -380.412561
where:
bonds (distance) C4'-P energy: -88.515
bonds (distance) P-C4' energy: -80.501
flat angles C4'-P-C4' energy: -92.701
flat angles P-C4'-P energy: -59.513
tors. eta vs tors. theta energy: -59.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -804.498712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.498712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.498712 (E_RNA)
where:
Base-Base interactions energy: -491.895
where: short stacking energy: -250.688
Base-Backbone interact. energy: -3.381
local terms energy: -309.223384
where:
bonds (distance) C4'-P energy: -77.646
bonds (distance) P-C4' energy: -69.579
flat angles C4'-P-C4' energy: -85.013
flat angles P-C4'-P energy: -46.966
tors. eta vs tors. theta energy: -30.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -566.988546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.988546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.988546 (E_RNA)
where:
Base-Base interactions energy: -284.178
where: short stacking energy: -155.117
Base-Backbone interact. energy: -3.572
local terms energy: -279.237887
where:
bonds (distance) C4'-P energy: -91.333
bonds (distance) P-C4' energy: -89.533
flat angles C4'-P-C4' energy: -65.843
flat angles P-C4'-P energy: -39.125
tors. eta vs tors. theta energy: 6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -562.752925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.752925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.752925 (E_RNA)
where:
Base-Base interactions energy: -282.148
where: short stacking energy: -162.478
Base-Backbone interact. energy: 2.408
local terms energy: -283.013130
where:
bonds (distance) C4'-P energy: -85.467
bonds (distance) P-C4' energy: -69.776
flat angles C4'-P-C4' energy: -84.164
flat angles P-C4'-P energy: -42.940
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1588.371001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.371001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.371001 (E_RNA)
where:
Base-Base interactions energy: -1079.045
where: short stacking energy: -474.899
Base-Backbone interact. energy: 0.152
local terms energy: -509.477664
where:
bonds (distance) C4'-P energy: -97.299
bonds (distance) P-C4' energy: -101.097
flat angles C4'-P-C4' energy: -105.351
flat angles P-C4'-P energy: -78.552
tors. eta vs tors. theta energy: -127.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1535.192593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.192593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.192593 (E_RNA)
where:
Base-Base interactions energy: -1019.457
where: short stacking energy: -439.322
Base-Backbone interact. energy: -1.782
local terms energy: -513.952946
where:
bonds (distance) C4'-P energy: -99.994
bonds (distance) P-C4' energy: -93.770
flat angles C4'-P-C4' energy: -109.328
flat angles P-C4'-P energy: -81.437
tors. eta vs tors. theta energy: -129.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1500.595576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.595576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.595576 (E_RNA)
where:
Base-Base interactions energy: -986.552
where: short stacking energy: -451.329
Base-Backbone interact. energy: -3.445
local terms energy: -510.598176
where:
bonds (distance) C4'-P energy: -104.522
bonds (distance) P-C4' energy: -95.040
flat angles C4'-P-C4' energy: -100.445
flat angles P-C4'-P energy: -73.699
tors. eta vs tors. theta energy: -136.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1414.853459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.853459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.853459 (E_RNA)
where:
Base-Base interactions energy: -932.759
where: short stacking energy: -384.670
Base-Backbone interact. energy: -2.757
local terms energy: -479.337723
where:
bonds (distance) C4'-P energy: -102.498
bonds (distance) P-C4' energy: -101.500
flat angles C4'-P-C4' energy: -103.684
flat angles P-C4'-P energy: -67.551
tors. eta vs tors. theta energy: -104.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1278.383188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.383188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.383188 (E_RNA)
where:
Base-Base interactions energy: -829.102
where: short stacking energy: -363.649
Base-Backbone interact. energy: -0.552
local terms energy: -448.729347
where:
bonds (distance) C4'-P energy: -99.157
bonds (distance) P-C4' energy: -90.901
flat angles C4'-P-C4' energy: -98.932
flat angles P-C4'-P energy: -59.392
tors. eta vs tors. theta energy: -100.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1035.194694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.194694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.194694 (E_RNA)
where:
Base-Base interactions energy: -644.221
where: short stacking energy: -312.875
Base-Backbone interact. energy: -2.306
local terms energy: -388.667907
where:
bonds (distance) C4'-P energy: -86.268
bonds (distance) P-C4' energy: -85.253
flat angles C4'-P-C4' energy: -84.553
flat angles P-C4'-P energy: -68.816
tors. eta vs tors. theta energy: -63.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1074.399210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.399210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.399210 (E_RNA)
where:
Base-Base interactions energy: -665.063
where: short stacking energy: -307.740
Base-Backbone interact. energy: -0.227
local terms energy: -409.108724
where:
bonds (distance) C4'-P energy: -80.866
bonds (distance) P-C4' energy: -90.225
flat angles C4'-P-C4' energy: -105.810
flat angles P-C4'-P energy: -71.286
tors. eta vs tors. theta energy: -60.922
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: 120
Temperature: 1.250000
Total energy: -784.816973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.816973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.816973 (E_RNA)
where:
Base-Base interactions energy: -459.471
where: short stacking energy: -233.848
Base-Backbone interact. energy: -4.675
local terms energy: -320.671303
where:
bonds (distance) C4'-P energy: -73.611
bonds (distance) P-C4' energy: -96.693
flat angles C4'-P-C4' energy: -80.604
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -28.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -562.153422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.153422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.153422 (E_RNA)
where:
Base-Base interactions energy: -255.790
where: short stacking energy: -169.270
Base-Backbone interact. energy: 1.838
local terms energy: -308.201386
where:
bonds (distance) C4'-P energy: -73.752
bonds (distance) P-C4' energy: -94.475
flat angles C4'-P-C4' energy: -90.010
flat angles P-C4'-P energy: -34.830
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -487.282141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.282141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.282141 (E_RNA)
where:
Base-Base interactions energy: -218.449
where: short stacking energy: -133.675
Base-Backbone interact. energy: -2.251
local terms energy: -266.582532
where:
bonds (distance) C4'-P energy: -49.402
bonds (distance) P-C4' energy: -90.404
flat angles C4'-P-C4' energy: -82.929
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: 2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1606.248083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.248083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.248083 (E_RNA)
where:
Base-Base interactions energy: -1051.410
where: short stacking energy: -466.088
Base-Backbone interact. energy: -1.805
local terms energy: -553.033812
where:
bonds (distance) C4'-P energy: -109.226
bonds (distance) P-C4' energy: -108.168
flat angles C4'-P-C4' energy: -117.201
flat angles P-C4'-P energy: -78.472
tors. eta vs tors. theta energy: -139.967
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: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1530.251768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.251768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.251768 (E_RNA)
where:
Base-Base interactions energy: -1034.553
where: short stacking energy: -470.307
Base-Backbone interact. energy: -0.616
local terms energy: -495.083698
where:
bonds (distance) C4'-P energy: -93.963
bonds (distance) P-C4' energy: -94.809
flat angles C4'-P-C4' energy: -102.742
flat angles P-C4'-P energy: -78.232
tors. eta vs tors. theta energy: -125.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1517.909422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.909422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.909422 (E_RNA)
where:
Base-Base interactions energy: -1018.003
where: short stacking energy: -460.859
Base-Backbone interact. energy: -3.081
local terms energy: -496.824736
where:
bonds (distance) C4'-P energy: -89.501
bonds (distance) P-C4' energy: -95.119
flat angles C4'-P-C4' energy: -110.549
flat angles P-C4'-P energy: -72.279
tors. eta vs tors. theta energy: -129.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1405.429445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.429445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.429445 (E_RNA)
where:
Base-Base interactions energy: -954.063
where: short stacking energy: -396.030
Base-Backbone interact. energy: -1.847
local terms energy: -449.518546
where:
bonds (distance) C4'-P energy: -80.199
bonds (distance) P-C4' energy: -98.740
flat angles C4'-P-C4' energy: -103.303
flat angles P-C4'-P energy: -66.996
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1250.778294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.778294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.778294 (E_RNA)
where:
Base-Base interactions energy: -813.535
where: short stacking energy: -352.285
Base-Backbone interact. energy: -1.278
local terms energy: -435.965698
where:
bonds (distance) C4'-P energy: -86.823
bonds (distance) P-C4' energy: -102.230
flat angles C4'-P-C4' energy: -91.605
flat angles P-C4'-P energy: -60.877
tors. eta vs tors. theta energy: -94.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1049.153057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.153057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.153057 (E_RNA)
where:
Base-Base interactions energy: -653.784
where: short stacking energy: -299.609
Base-Backbone interact. energy: -4.154
local terms energy: -391.214353
where:
bonds (distance) C4'-P energy: -88.690
bonds (distance) P-C4' energy: -91.762
flat angles C4'-P-C4' energy: -85.591
flat angles P-C4'-P energy: -52.183
tors. eta vs tors. theta energy: -72.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1003.303016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.303016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.303016 (E_RNA)
where:
Base-Base interactions energy: -614.075
where: short stacking energy: -300.444
Base-Backbone interact. energy: -0.888
local terms energy: -388.339599
where:
bonds (distance) C4'-P energy: -71.755
bonds (distance) P-C4' energy: -92.858
flat angles C4'-P-C4' energy: -77.659
flat angles P-C4'-P energy: -72.764
tors. eta vs tors. theta energy: -73.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -737.853026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.853026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.853026 (E_RNA)
where:
Base-Base interactions energy: -430.929
where: short stacking energy: -218.945
Base-Backbone interact. energy: 4.114
local terms energy: -311.037832
where:
bonds (distance) C4'-P energy: -85.934
bonds (distance) P-C4' energy: -83.048
flat angles C4'-P-C4' energy: -78.573
flat angles P-C4'-P energy: -41.094
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -577.065457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.065457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.065457 (E_RNA)
where:
Base-Base interactions energy: -269.167
where: short stacking energy: -156.309
Base-Backbone interact. energy: -0.224
local terms energy: -307.673753
where:
bonds (distance) C4'-P energy: -93.645
bonds (distance) P-C4' energy: -84.513
flat angles C4'-P-C4' energy: -78.062
flat angles P-C4'-P energy: -52.554
tors. eta vs tors. theta energy: 1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -455.751085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.751085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.751085 (E_RNA)
where:
Base-Base interactions energy: -176.061
where: short stacking energy: -116.708
Base-Backbone interact. energy: -0.031
local terms energy: -279.658534
where:
bonds (distance) C4'-P energy: -79.615
bonds (distance) P-C4' energy: -92.880
flat angles C4'-P-C4' energy: -76.319
flat angles P-C4'-P energy: -41.236
tors. eta vs tors. theta energy: 10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1588.945035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.945035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.945035 (E_RNA)
where:
Base-Base interactions energy: -1057.076
where: short stacking energy: -491.289
Base-Backbone interact. energy: -2.956
local terms energy: -528.913276
where:
bonds (distance) C4'-P energy: -105.209
bonds (distance) P-C4' energy: -110.909
flat angles C4'-P-C4' energy: -109.654
flat angles P-C4'-P energy: -68.533
tors. eta vs tors. theta energy: -134.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1548.563953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.563953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.563953 (E_RNA)
where:
Base-Base interactions energy: -1024.033
where: short stacking energy: -461.794
Base-Backbone interact. energy: -0.371
local terms energy: -524.159490
where:
bonds (distance) C4'-P energy: -104.195
bonds (distance) P-C4' energy: -105.405
flat angles C4'-P-C4' energy: -106.571
flat angles P-C4'-P energy: -76.694
tors. eta vs tors. theta energy: -131.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1484.626303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.626303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.626303 (E_RNA)
where:
Base-Base interactions energy: -1011.087
where: short stacking energy: -429.327
Base-Backbone interact. energy: 2.604
local terms energy: -476.143270
where:
bonds (distance) C4'-P energy: -97.531
bonds (distance) P-C4' energy: -92.164
flat angles C4'-P-C4' energy: -101.027
flat angles P-C4'-P energy: -66.889
tors. eta vs tors. theta energy: -118.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1457.487723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.487723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.487723 (E_RNA)
where:
Base-Base interactions energy: -970.547
where: short stacking energy: -432.095
Base-Backbone interact. energy: -2.899
local terms energy: -484.041659
where:
bonds (distance) C4'-P energy: -93.447
bonds (distance) P-C4' energy: -91.265
flat angles C4'-P-C4' energy: -105.684
flat angles P-C4'-P energy: -64.281
tors. eta vs tors. theta energy: -129.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1311.500648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.500648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.500648 (E_RNA)
where:
Base-Base interactions energy: -835.526
where: short stacking energy: -375.134
Base-Backbone interact. energy: -2.757
local terms energy: -473.218070
where:
bonds (distance) C4'-P energy: -104.527
bonds (distance) P-C4' energy: -107.921
flat angles C4'-P-C4' energy: -95.129
flat angles P-C4'-P energy: -68.035
tors. eta vs tors. theta energy: -97.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1031.318622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.318622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.318622 (E_RNA)
where:
Base-Base interactions energy: -618.745
where: short stacking energy: -283.319
Base-Backbone interact. energy: -2.748
local terms energy: -409.826232
where:
bonds (distance) C4'-P energy: -106.043
bonds (distance) P-C4' energy: -93.266
flat angles C4'-P-C4' energy: -83.160
flat angles P-C4'-P energy: -60.997
tors. eta vs tors. theta energy: -66.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -961.546071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.546071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.546071 (E_RNA)
where:
Base-Base interactions energy: -572.236
where: short stacking energy: -280.232
Base-Backbone interact. energy: -0.545
local terms energy: -388.764740
where:
bonds (distance) C4'-P energy: -92.356
bonds (distance) P-C4' energy: -94.284
flat angles C4'-P-C4' energy: -89.341
flat angles P-C4'-P energy: -54.034
tors. eta vs tors. theta energy: -58.750
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: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -756.090699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.090699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.090699 (E_RNA)
where:
Base-Base interactions energy: -430.642
where: short stacking energy: -216.846
Base-Backbone interact. energy: -1.879
local terms energy: -323.569108
where:
bonds (distance) C4'-P energy: -73.057
bonds (distance) P-C4' energy: -90.582
flat angles C4'-P-C4' energy: -79.798
flat angles P-C4'-P energy: -46.976
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: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -568.754863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.754863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.754863 (E_RNA)
where:
Base-Base interactions energy: -245.981
where: short stacking energy: -142.046
Base-Backbone interact. energy: 3.786
local terms energy: -326.559966
where:
bonds (distance) C4'-P energy: -103.471
bonds (distance) P-C4' energy: -85.653
flat angles C4'-P-C4' energy: -89.523
flat angles P-C4'-P energy: -43.230
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -477.852354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.852354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.852354 (E_RNA)
where:
Base-Base interactions energy: -204.613
where: short stacking energy: -136.288
Base-Backbone interact. energy: 1.565
local terms energy: -274.804340
where:
bonds (distance) C4'-P energy: -87.129
bonds (distance) P-C4' energy: -83.223
flat angles C4'-P-C4' energy: -74.521
flat angles P-C4'-P energy: -48.360
tors. eta vs tors. theta energy: 18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1601.190310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.190310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.190310 (E_RNA)
where:
Base-Base interactions energy: -1064.756
where: short stacking energy: -489.250
Base-Backbone interact. energy: -2.460
local terms energy: -533.973631
where:
bonds (distance) C4'-P energy: -101.209
bonds (distance) P-C4' energy: -108.338
flat angles C4'-P-C4' energy: -122.859
flat angles P-C4'-P energy: -71.196
tors. eta vs tors. theta energy: -130.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1558.305344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.305344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.305344 (E_RNA)
where:
Base-Base interactions energy: -1031.191
where: short stacking energy: -476.688
Base-Backbone interact. energy: 0.391
local terms energy: -527.505634
where:
bonds (distance) C4'-P energy: -99.674
bonds (distance) P-C4' energy: -105.074
flat angles C4'-P-C4' energy: -117.902
flat angles P-C4'-P energy: -62.032
tors. eta vs tors. theta energy: -142.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1484.450381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.450381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.450381 (E_RNA)
where:
Base-Base interactions energy: -998.332
where: short stacking energy: -424.786
Base-Backbone interact. energy: -2.530
local terms energy: -483.588914
where:
bonds (distance) C4'-P energy: -92.615
bonds (distance) P-C4' energy: -89.954
flat angles C4'-P-C4' energy: -112.976
flat angles P-C4'-P energy: -69.107
tors. eta vs tors. theta energy: -118.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1463.579329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.579329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.579329 (E_RNA)
where:
Base-Base interactions energy: -978.707
where: short stacking energy: -423.495
Base-Backbone interact. energy: 1.957
local terms energy: -486.829784
where:
bonds (distance) C4'-P energy: -93.013
bonds (distance) P-C4' energy: -97.411
flat angles C4'-P-C4' energy: -102.444
flat angles P-C4'-P energy: -73.189
tors. eta vs tors. theta energy: -120.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1290.220507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.220507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.220507 (E_RNA)
where:
Base-Base interactions energy: -857.289
where: short stacking energy: -397.082
Base-Backbone interact. energy: -0.039
local terms energy: -432.893190
where:
bonds (distance) C4'-P energy: -86.667
bonds (distance) P-C4' energy: -92.008
flat angles C4'-P-C4' energy: -92.586
flat angles P-C4'-P energy: -54.219
tors. eta vs tors. theta energy: -107.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1033.827355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.827355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.827355 (E_RNA)
where:
Base-Base interactions energy: -620.027
where: short stacking energy: -314.142
Base-Backbone interact. energy: -1.184
local terms energy: -412.616882
where:
bonds (distance) C4'-P energy: -94.677
bonds (distance) P-C4' energy: -99.840
flat angles C4'-P-C4' energy: -81.385
flat angles P-C4'-P energy: -59.526
tors. eta vs tors. theta energy: -77.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -938.465487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.465487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.465487 (E_RNA)
where:
Base-Base interactions energy: -562.355
where: short stacking energy: -266.402
Base-Backbone interact. energy: -1.654
local terms energy: -374.456235
where:
bonds (distance) C4'-P energy: -83.889
bonds (distance) P-C4' energy: -96.090
flat angles C4'-P-C4' energy: -88.501
flat angles P-C4'-P energy: -57.236
tors. eta vs tors. theta energy: -48.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -702.415166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.415166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.415166 (E_RNA)
where:
Base-Base interactions energy: -375.155
where: short stacking energy: -198.176
Base-Backbone interact. energy: 7.419
local terms energy: -334.679158
where:
bonds (distance) C4'-P energy: -90.878
bonds (distance) P-C4' energy: -98.332
flat angles C4'-P-C4' energy: -73.415
flat angles P-C4'-P energy: -59.741
tors. eta vs tors. theta energy: -12.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -591.702498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.702498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.702498 (E_RNA)
where:
Base-Base interactions energy: -280.363
where: short stacking energy: -171.363
Base-Backbone interact. energy: -0.754
local terms energy: -310.586305
where:
bonds (distance) C4'-P energy: -81.600
bonds (distance) P-C4' energy: -83.492
flat angles C4'-P-C4' energy: -79.115
flat angles P-C4'-P energy: -51.365
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -470.183458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.183458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.183458 (E_RNA)
where:
Base-Base interactions energy: -208.785
where: short stacking energy: -144.067
Base-Backbone interact. energy: 0.157
local terms energy: -261.555887
where:
bonds (distance) C4'-P energy: -77.216
bonds (distance) P-C4' energy: -79.008
flat angles C4'-P-C4' energy: -71.464
flat angles P-C4'-P energy: -42.113
tors. eta vs tors. theta energy: 8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1553.303441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.303441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.303441 (E_RNA)
where:
Base-Base interactions energy: -1012.923
where: short stacking energy: -459.976
Base-Backbone interact. energy: -0.099
local terms energy: -540.281166
where:
bonds (distance) C4'-P energy: -101.146
bonds (distance) P-C4' energy: -113.757
flat angles C4'-P-C4' energy: -111.863
flat angles P-C4'-P energy: -77.144
tors. eta vs tors. theta energy: -136.370
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: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1559.007604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.007604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.007604 (E_RNA)
where:
Base-Base interactions energy: -1059.389
where: short stacking energy: -470.060
Base-Backbone interact. energy: -2.973
local terms energy: -496.645807
where:
bonds (distance) C4'-P energy: -84.251
bonds (distance) P-C4' energy: -103.383
flat angles C4'-P-C4' energy: -100.766
flat angles P-C4'-P energy: -80.392
tors. eta vs tors. theta energy: -127.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1505.306031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.306031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.306031 (E_RNA)
where:
Base-Base interactions energy: -1023.801
where: short stacking energy: -455.009
Base-Backbone interact. energy: -1.087
local terms energy: -480.417806
where:
bonds (distance) C4'-P energy: -94.007
bonds (distance) P-C4' energy: -106.223
flat angles C4'-P-C4' energy: -105.414
flat angles P-C4'-P energy: -57.743
tors. eta vs tors. theta energy: -117.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1425.264165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.264165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.264165 (E_RNA)
where:
Base-Base interactions energy: -944.387
where: short stacking energy: -411.866
Base-Backbone interact. energy: 0.357
local terms energy: -481.234165
where:
bonds (distance) C4'-P energy: -94.071
bonds (distance) P-C4' energy: -88.034
flat angles C4'-P-C4' energy: -106.165
flat angles P-C4'-P energy: -76.515
tors. eta vs tors. theta energy: -116.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1315.750914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.750914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.750914 (E_RNA)
where:
Base-Base interactions energy: -855.770
where: short stacking energy: -398.729
Base-Backbone interact. energy: -1.092
local terms energy: -458.888662
where:
bonds (distance) C4'-P energy: -85.853
bonds (distance) P-C4' energy: -106.074
flat angles C4'-P-C4' energy: -93.030
flat angles P-C4'-P energy: -51.939
tors. eta vs tors. theta energy: -121.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1103.745093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.745093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.745093 (E_RNA)
where:
Base-Base interactions energy: -701.572
where: short stacking energy: -363.770
Base-Backbone interact. energy: 0.677
local terms energy: -402.849345
where:
bonds (distance) C4'-P energy: -75.744
bonds (distance) P-C4' energy: -96.869
flat angles C4'-P-C4' energy: -86.465
flat angles P-C4'-P energy: -57.208
tors. eta vs tors. theta energy: -86.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -959.019210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.019210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.019210 (E_RNA)
where:
Base-Base interactions energy: -600.027
where: short stacking energy: -273.252
Base-Backbone interact. energy: -0.548
local terms energy: -358.444538
where:
bonds (distance) C4'-P energy: -94.804
bonds (distance) P-C4' energy: -93.130
flat angles C4'-P-C4' energy: -84.093
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: -44.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -734.302011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.302011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.302011 (E_RNA)
where:
Base-Base interactions energy: -398.752
where: short stacking energy: -210.581
Base-Backbone interact. energy: -2.363
local terms energy: -333.187698
where:
bonds (distance) C4'-P energy: -85.382
bonds (distance) P-C4' energy: -90.553
flat angles C4'-P-C4' energy: -84.869
flat angles P-C4'-P energy: -47.392
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -602.951459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.951459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.951459 (E_RNA)
where:
Base-Base interactions energy: -263.204
where: short stacking energy: -161.208
Base-Backbone interact. energy: -0.664
local terms energy: -339.083052
where:
bonds (distance) C4'-P energy: -96.838
bonds (distance) P-C4' energy: -100.048
flat angles C4'-P-C4' energy: -77.761
flat angles P-C4'-P energy: -39.275
tors. eta vs tors. theta energy: -25.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -438.732177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.732177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.732177 (E_RNA)
where:
Base-Base interactions energy: -166.499
where: short stacking energy: -126.788
Base-Backbone interact. energy: -1.273
local terms energy: -270.960118
where:
bonds (distance) C4'-P energy: -80.564
bonds (distance) P-C4' energy: -98.026
flat angles C4'-P-C4' energy: -59.835
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: 8.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1591.923733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.923733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.923733 (E_RNA)
where:
Base-Base interactions energy: -1061.962
where: short stacking energy: -488.505
Base-Backbone interact. energy: 0.348
local terms energy: -530.309539
where:
bonds (distance) C4'-P energy: -101.436
bonds (distance) P-C4' energy: -93.799
flat angles C4'-P-C4' energy: -118.238
flat angles P-C4'-P energy: -76.139
tors. eta vs tors. theta energy: -140.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1579.130918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.130918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.130918 (E_RNA)
where:
Base-Base interactions energy: -1064.430
where: short stacking energy: -481.687
Base-Backbone interact. energy: -0.855
local terms energy: -513.846450
where:
bonds (distance) C4'-P energy: -110.271
bonds (distance) P-C4' energy: -99.782
flat angles C4'-P-C4' energy: -104.579
flat angles P-C4'-P energy: -68.207
tors. eta vs tors. theta energy: -131.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1513.941320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.941320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.941320 (E_RNA)
where:
Base-Base interactions energy: -1039.038
where: short stacking energy: -445.380
Base-Backbone interact. energy: -0.484
local terms energy: -474.419317
where:
bonds (distance) C4'-P energy: -98.474
bonds (distance) P-C4' energy: -94.978
flat angles C4'-P-C4' energy: -101.820
flat angles P-C4'-P energy: -60.208
tors. eta vs tors. theta energy: -118.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1388.989537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.989537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.989537 (E_RNA)
where:
Base-Base interactions energy: -930.822
where: short stacking energy: -390.597
Base-Backbone interact. energy: -4.059
local terms energy: -454.109154
where:
bonds (distance) C4'-P energy: -88.329
bonds (distance) P-C4' energy: -94.935
flat angles C4'-P-C4' energy: -112.340
flat angles P-C4'-P energy: -63.762
tors. eta vs tors. theta energy: -94.743
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: 6
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1286.335835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.335835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.335835 (E_RNA)
where:
Base-Base interactions energy: -839.478
where: short stacking energy: -380.543
Base-Backbone interact. energy: -1.802
local terms energy: -445.055518
where:
bonds (distance) C4'-P energy: -87.997
bonds (distance) P-C4' energy: -98.164
flat angles C4'-P-C4' energy: -94.494
flat angles P-C4'-P energy: -62.284
tors. eta vs tors. theta energy: -102.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1110.769214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.769214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.769214 (E_RNA)
where:
Base-Base interactions energy: -685.025
where: short stacking energy: -360.897
Base-Backbone interact. energy: 0.315
local terms energy: -426.058526
where:
bonds (distance) C4'-P energy: -90.084
bonds (distance) P-C4' energy: -91.937
flat angles C4'-P-C4' energy: -91.848
flat angles P-C4'-P energy: -55.765
tors. eta vs tors. theta energy: -96.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -961.255972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.255972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.255972 (E_RNA)
where:
Base-Base interactions energy: -590.075
where: short stacking energy: -291.864
Base-Backbone interact. energy: -1.226
local terms energy: -369.955001
where:
bonds (distance) C4'-P energy: -83.846
bonds (distance) P-C4' energy: -96.142
flat angles C4'-P-C4' energy: -76.747
flat angles P-C4'-P energy: -55.173
tors. eta vs tors. theta energy: -58.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -759.781077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.781077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.781077 (E_RNA)
where:
Base-Base interactions energy: -457.219
where: short stacking energy: -232.364
Base-Backbone interact. energy: 4.941
local terms energy: -307.503018
where:
bonds (distance) C4'-P energy: -59.619
bonds (distance) P-C4' energy: -82.622
flat angles C4'-P-C4' energy: -87.569
flat angles P-C4'-P energy: -46.518
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -590.416513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.416513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.416513 (E_RNA)
where:
Base-Base interactions energy: -299.998
where: short stacking energy: -192.727
Base-Backbone interact. energy: -0.202
local terms energy: -292.025399
where:
bonds (distance) C4'-P energy: -74.177
bonds (distance) P-C4' energy: -103.287
flat angles C4'-P-C4' energy: -52.940
flat angles P-C4'-P energy: -40.890
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.808 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -409.396426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.396426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.396426 (E_RNA)
where:
Base-Base interactions energy: -133.290
where: short stacking energy: -119.276
Base-Backbone interact. energy: 0.073
local terms energy: -276.180240
where:
bonds (distance) C4'-P energy: -69.056
bonds (distance) P-C4' energy: -88.102
flat angles C4'-P-C4' energy: -73.837
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -8.512
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: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1615.797658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.797658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.797658 (E_RNA)
where:
Base-Base interactions energy: -1074.388
where: short stacking energy: -497.459
Base-Backbone interact. energy: -0.133
local terms energy: -541.276314
where:
bonds (distance) C4'-P energy: -98.266
bonds (distance) P-C4' energy: -103.012
flat angles C4'-P-C4' energy: -126.628
flat angles P-C4'-P energy: -74.980
tors. eta vs tors. theta energy: -138.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1556.478462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.478462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.478462 (E_RNA)
where:
Base-Base interactions energy: -1030.277
where: short stacking energy: -443.760
Base-Backbone interact. energy: 5.454
local terms energy: -531.655400
where:
bonds (distance) C4'-P energy: -107.946
bonds (distance) P-C4' energy: -103.579
flat angles C4'-P-C4' energy: -125.226
flat angles P-C4'-P energy: -71.369
tors. eta vs tors. theta energy: -123.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1560.278933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.278933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.278933 (E_RNA)
where:
Base-Base interactions energy: -1045.870
where: short stacking energy: -466.983
Base-Backbone interact. energy: -0.912
local terms energy: -513.497421
where:
bonds (distance) C4'-P energy: -101.642
bonds (distance) P-C4' energy: -94.577
flat angles C4'-P-C4' energy: -114.275
flat angles P-C4'-P energy: -72.856
tors. eta vs tors. theta energy: -130.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1419.955944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.955944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.955944 (E_RNA)
where:
Base-Base interactions energy: -959.381
where: short stacking energy: -411.069
Base-Backbone interact. energy: -3.133
local terms energy: -457.441517
where:
bonds (distance) C4'-P energy: -89.501
bonds (distance) P-C4' energy: -96.180
flat angles C4'-P-C4' energy: -99.494
flat angles P-C4'-P energy: -60.641
tors. eta vs tors. theta energy: -111.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1279.049129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.049129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.049129 (E_RNA)
where:
Base-Base interactions energy: -850.268
where: short stacking energy: -382.779
Base-Backbone interact. energy: -1.257
local terms energy: -427.524112
where:
bonds (distance) C4'-P energy: -99.584
bonds (distance) P-C4' energy: -81.499
flat angles C4'-P-C4' energy: -102.384
flat angles P-C4'-P energy: -56.711
tors. eta vs tors. theta energy: -87.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1079.711253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.711253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.711253 (E_RNA)
where:
Base-Base interactions energy: -679.525
where: short stacking energy: -356.093
Base-Backbone interact. energy: -1.954
local terms energy: -398.232672
where:
bonds (distance) C4'-P energy: -77.189
bonds (distance) P-C4' energy: -97.710
flat angles C4'-P-C4' energy: -91.940
flat angles P-C4'-P energy: -51.997
tors. eta vs tors. theta energy: -79.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -912.244296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.244296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.244296 (E_RNA)
where:
Base-Base interactions energy: -529.160
where: short stacking energy: -276.004
Base-Backbone interact. energy: -1.753
local terms energy: -381.331555
where:
bonds (distance) C4'-P energy: -93.411
bonds (distance) P-C4' energy: -94.577
flat angles C4'-P-C4' energy: -85.652
flat angles P-C4'-P energy: -58.501
tors. eta vs tors. theta energy: -49.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -718.821617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.821617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.821617 (E_RNA)
where:
Base-Base interactions energy: -399.054
where: short stacking energy: -208.556
Base-Backbone interact. energy: 1.134
local terms energy: -320.901612
where:
bonds (distance) C4'-P energy: -78.563
bonds (distance) P-C4' energy: -89.509
flat angles C4'-P-C4' energy: -88.693
flat angles P-C4'-P energy: -55.356
tors. eta vs tors. theta energy: -8.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -571.970419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.970419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.970419 (E_RNA)
where:
Base-Base interactions energy: -265.083
where: short stacking energy: -150.438
Base-Backbone interact. energy: 0.333
local terms energy: -307.221052
where:
bonds (distance) C4'-P energy: -77.773
bonds (distance) P-C4' energy: -79.677
flat angles C4'-P-C4' energy: -91.021
flat angles P-C4'-P energy: -50.586
tors. eta vs tors. theta energy: -8.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -375.602091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.602091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.602091 (E_RNA)
where:
Base-Base interactions energy: -107.707
where: short stacking energy: -91.185
Base-Backbone interact. energy: -2.203
local terms energy: -265.691606
where:
bonds (distance) C4'-P energy: -88.602
bonds (distance) P-C4' energy: -82.497
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -54.516
tors. eta vs tors. theta energy: 18.720
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: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1603.596191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.596191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.596191 (E_RNA)
where:
Base-Base interactions energy: -1063.954
where: short stacking energy: -488.652
Base-Backbone interact. energy: -2.497
local terms energy: -537.144720
where:
bonds (distance) C4'-P energy: -106.686
bonds (distance) P-C4' energy: -110.445
flat angles C4'-P-C4' energy: -109.032
flat angles P-C4'-P energy: -75.970
tors. eta vs tors. theta energy: -135.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1569.251604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.251604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.251604 (E_RNA)
where:
Base-Base interactions energy: -1060.915
where: short stacking energy: -456.033
Base-Backbone interact. energy: -1.599
local terms energy: -506.737697
where:
bonds (distance) C4'-P energy: -97.083
bonds (distance) P-C4' energy: -103.562
flat angles C4'-P-C4' energy: -114.356
flat angles P-C4'-P energy: -72.143
tors. eta vs tors. theta energy: -119.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1518.261948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.261948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.261948 (E_RNA)
where:
Base-Base interactions energy: -1033.747
where: short stacking energy: -450.347
Base-Backbone interact. energy: -1.213
local terms energy: -483.302038
where:
bonds (distance) C4'-P energy: -81.798
bonds (distance) P-C4' energy: -95.148
flat angles C4'-P-C4' energy: -107.883
flat angles P-C4'-P energy: -71.177
tors. eta vs tors. theta energy: -127.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1372.313450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.313450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.313450 (E_RNA)
where:
Base-Base interactions energy: -927.402
where: short stacking energy: -365.271
Base-Backbone interact. energy: -2.813
local terms energy: -442.097768
where:
bonds (distance) C4'-P energy: -77.372
bonds (distance) P-C4' energy: -94.326
flat angles C4'-P-C4' energy: -104.791
flat angles P-C4'-P energy: -71.250
tors. eta vs tors. theta energy: -94.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1275.086628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.086628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.086628 (E_RNA)
where:
Base-Base interactions energy: -841.136
where: short stacking energy: -393.769
Base-Backbone interact. energy: -0.478
local terms energy: -433.472225
where:
bonds (distance) C4'-P energy: -68.101
bonds (distance) P-C4' energy: -91.606
flat angles C4'-P-C4' energy: -91.441
flat angles P-C4'-P energy: -63.465
tors. eta vs tors. theta energy: -118.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1088.460365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.460365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.460365 (E_RNA)
where:
Base-Base interactions energy: -679.821
where: short stacking energy: -331.260
Base-Backbone interact. energy: 2.096
local terms energy: -410.735871
where:
bonds (distance) C4'-P energy: -77.596
bonds (distance) P-C4' energy: -89.020
flat angles C4'-P-C4' energy: -97.013
flat angles P-C4'-P energy: -54.224
tors. eta vs tors. theta energy: -92.882
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: 1
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -879.036877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.036877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.036877 (E_RNA)
where:
Base-Base interactions energy: -532.525
where: short stacking energy: -256.514
Base-Backbone interact. energy: 0.947
local terms energy: -347.459031
where:
bonds (distance) C4'-P energy: -93.631
bonds (distance) P-C4' energy: -78.876
flat angles C4'-P-C4' energy: -88.962
flat angles P-C4'-P energy: -49.683
tors. eta vs tors. theta energy: -36.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -735.283779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.283779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.283779 (E_RNA)
where:
Base-Base interactions energy: -387.084
where: short stacking energy: -229.425
Base-Backbone interact. energy: 0.950
local terms energy: -349.149826
where:
bonds (distance) C4'-P energy: -88.189
bonds (distance) P-C4' energy: -84.315
flat angles C4'-P-C4' energy: -76.349
flat angles P-C4'-P energy: -52.471
tors. eta vs tors. theta energy: -47.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -557.551654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.551654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.551654 (E_RNA)
where:
Base-Base interactions energy: -247.101
where: short stacking energy: -165.576
Base-Backbone interact. energy: -1.141
local terms energy: -309.938612
where:
bonds (distance) C4'-P energy: -81.709
bonds (distance) P-C4' energy: -99.370
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -62.813
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.629 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -399.114036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.114036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.114036 (E_RNA)
where:
Base-Base interactions energy: -131.968
where: short stacking energy: -105.997
Base-Backbone interact. energy: -2.395
local terms energy: -264.751428
where:
bonds (distance) C4'-P energy: -93.187
bonds (distance) P-C4' energy: -82.253
flat angles C4'-P-C4' energy: -72.964
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: 19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1590.211460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.211460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.211460 (E_RNA)
where:
Base-Base interactions energy: -1063.309
where: short stacking energy: -434.750
Base-Backbone interact. energy: -0.708
local terms energy: -526.194384
where:
bonds (distance) C4'-P energy: -101.212
bonds (distance) P-C4' energy: -105.884
flat angles C4'-P-C4' energy: -113.847
flat angles P-C4'-P energy: -80.309
tors. eta vs tors. theta energy: -124.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1535.340437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.340437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.340437 (E_RNA)
where:
Base-Base interactions energy: -1024.774
where: short stacking energy: -492.236
Base-Backbone interact. energy: -0.400
local terms energy: -510.166584
where:
bonds (distance) C4'-P energy: -100.225
bonds (distance) P-C4' energy: -86.232
flat angles C4'-P-C4' energy: -107.054
flat angles P-C4'-P energy: -74.952
tors. eta vs tors. theta energy: -141.704
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: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1508.654196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.654196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.654196 (E_RNA)
where:
Base-Base interactions energy: -1019.779
where: short stacking energy: -447.310
Base-Backbone interact. energy: -3.826
local terms energy: -486.933010
where:
bonds (distance) C4'-P energy: -91.720
bonds (distance) P-C4' energy: -98.723
flat angles C4'-P-C4' energy: -90.157
flat angles P-C4'-P energy: -78.188
tors. eta vs tors. theta energy: -128.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.884 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1383.071187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.071187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.071187 (E_RNA)
where:
Base-Base interactions energy: -922.740
where: short stacking energy: -392.986
Base-Backbone interact. energy: 1.840
local terms energy: -462.170603
where:
bonds (distance) C4'-P energy: -95.857
bonds (distance) P-C4' energy: -102.627
flat angles C4'-P-C4' energy: -95.101
flat angles P-C4'-P energy: -65.403
tors. eta vs tors. theta energy: -103.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1298.877982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.877982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.877982 (E_RNA)
where:
Base-Base interactions energy: -853.384
where: short stacking energy: -395.603
Base-Backbone interact. energy: -0.033
local terms energy: -445.460164
where:
bonds (distance) C4'-P energy: -96.928
bonds (distance) P-C4' energy: -81.376
flat angles C4'-P-C4' energy: -102.555
flat angles P-C4'-P energy: -58.302
tors. eta vs tors. theta energy: -106.298
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: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1098.730324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.730324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.730324 (E_RNA)
where:
Base-Base interactions energy: -685.211
where: short stacking energy: -322.224
Base-Backbone interact. energy: -1.316
local terms energy: -412.203901
where:
bonds (distance) C4'-P energy: -95.785
bonds (distance) P-C4' energy: -92.092
flat angles C4'-P-C4' energy: -86.058
flat angles P-C4'-P energy: -58.123
tors. eta vs tors. theta energy: -80.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -871.655715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.655715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.655715 (E_RNA)
where:
Base-Base interactions energy: -492.381
where: short stacking energy: -260.015
Base-Backbone interact. energy: -0.505
local terms energy: -378.769341
where:
bonds (distance) C4'-P energy: -87.579
bonds (distance) P-C4' energy: -97.273
flat angles C4'-P-C4' energy: -84.059
flat angles P-C4'-P energy: -57.025
tors. eta vs tors. theta energy: -52.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -720.023521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.023521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.023521 (E_RNA)
where:
Base-Base interactions energy: -386.514
where: short stacking energy: -199.622
Base-Backbone interact. energy: -1.633
local terms energy: -331.875796
where:
bonds (distance) C4'-P energy: -79.626
bonds (distance) P-C4' energy: -98.730
flat angles C4'-P-C4' energy: -93.639
flat angles P-C4'-P energy: -40.561
tors. eta vs tors. theta energy: -19.320
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: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -591.514858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.514858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.514858 (E_RNA)
where:
Base-Base interactions energy: -286.541
where: short stacking energy: -162.497
Base-Backbone interact. energy: -1.093
local terms energy: -303.880321
where:
bonds (distance) C4'-P energy: -91.421
bonds (distance) P-C4' energy: -78.240
flat angles C4'-P-C4' energy: -88.083
flat angles P-C4'-P energy: -48.069
tors. eta vs tors. theta energy: 1.933
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: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -397.168649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.168649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.168649 (E_RNA)
where:
Base-Base interactions energy: -150.647
where: short stacking energy: -91.810
Base-Backbone interact. energy: -2.011
local terms energy: -244.511088
where:
bonds (distance) C4'-P energy: -91.780
bonds (distance) P-C4' energy: -78.082
flat angles C4'-P-C4' energy: -71.648
flat angles P-C4'-P energy: -33.361
tors. eta vs tors. theta energy: 30.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1616.325450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.325450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.325450 (E_RNA)
where:
Base-Base interactions energy: -1095.655
where: short stacking energy: -469.775
Base-Backbone interact. energy: -1.622
local terms energy: -519.048420
where:
bonds (distance) C4'-P energy: -88.888
bonds (distance) P-C4' energy: -101.941
flat angles C4'-P-C4' energy: -116.567
flat angles P-C4'-P energy: -78.151
tors. eta vs tors. theta energy: -133.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1536.859981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.859981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.859981 (E_RNA)
where:
Base-Base interactions energy: -1010.222
where: short stacking energy: -478.164
Base-Backbone interact. energy: -3.782
local terms energy: -522.856109
where:
bonds (distance) C4'-P energy: -97.658
bonds (distance) P-C4' energy: -89.037
flat angles C4'-P-C4' energy: -111.039
flat angles P-C4'-P energy: -86.992
tors. eta vs tors. theta energy: -138.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1455.040989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.040989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.040989 (E_RNA)
where:
Base-Base interactions energy: -977.373
where: short stacking energy: -442.022
Base-Backbone interact. energy: 1.491
local terms energy: -479.159536
where:
bonds (distance) C4'-P energy: -92.242
bonds (distance) P-C4' energy: -96.142
flat angles C4'-P-C4' energy: -107.131
flat angles P-C4'-P energy: -70.257
tors. eta vs tors. theta energy: -113.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1359.645667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.645667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.645667 (E_RNA)
where:
Base-Base interactions energy: -915.777
where: short stacking energy: -398.548
Base-Backbone interact. energy: 1.337
local terms energy: -445.205724
where:
bonds (distance) C4'-P energy: -87.964
bonds (distance) P-C4' energy: -92.477
flat angles C4'-P-C4' energy: -98.469
flat angles P-C4'-P energy: -63.182
tors. eta vs tors. theta energy: -103.113
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: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1306.123734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.123734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.123734 (E_RNA)
where:
Base-Base interactions energy: -821.583
where: short stacking energy: -378.219
Base-Backbone interact. energy: -2.050
local terms energy: -482.490810
where:
bonds (distance) C4'-P energy: -96.214
bonds (distance) P-C4' energy: -95.755
flat angles C4'-P-C4' energy: -109.962
flat angles P-C4'-P energy: -62.324
tors. eta vs tors. theta energy: -118.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1054.312592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.312592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.312592 (E_RNA)
where:
Base-Base interactions energy: -645.684
where: short stacking energy: -322.755
Base-Backbone interact. energy: 1.797
local terms energy: -410.425719
where:
bonds (distance) C4'-P energy: -83.665
bonds (distance) P-C4' energy: -98.576
flat angles C4'-P-C4' energy: -81.768
flat angles P-C4'-P energy: -69.143
tors. eta vs tors. theta energy: -77.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -892.988723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.988723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.988723 (E_RNA)
where:
Base-Base interactions energy: -526.878
where: short stacking energy: -236.446
Base-Backbone interact. energy: -0.895
local terms energy: -365.215916
where:
bonds (distance) C4'-P energy: -87.534
bonds (distance) P-C4' energy: -102.509
flat angles C4'-P-C4' energy: -81.055
flat angles P-C4'-P energy: -55.940
tors. eta vs tors. theta energy: -38.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -733.633894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.633894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.633894 (E_RNA)
where:
Base-Base interactions energy: -415.188
where: short stacking energy: -209.299
Base-Backbone interact. energy: 1.503
local terms energy: -319.949152
where:
bonds (distance) C4'-P energy: -88.305
bonds (distance) P-C4' energy: -92.184
flat angles C4'-P-C4' energy: -74.742
flat angles P-C4'-P energy: -44.948
tors. eta vs tors. theta energy: -19.771
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: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -552.808739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.808739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.808739 (E_RNA)
where:
Base-Base interactions energy: -271.882
where: short stacking energy: -150.201
Base-Backbone interact. energy: 0.251
local terms energy: -281.178183
where:
bonds (distance) C4'-P energy: -82.674
bonds (distance) P-C4' energy: -79.372
flat angles C4'-P-C4' energy: -71.744
flat angles P-C4'-P energy: -50.471
tors. eta vs tors. theta energy: 3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -411.374454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.374454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.374454 (E_RNA)
where:
Base-Base interactions energy: -151.584
where: short stacking energy: -117.458
Base-Backbone interact. energy: -0.509
local terms energy: -259.281555
where:
bonds (distance) C4'-P energy: -69.631
bonds (distance) P-C4' energy: -77.410
flat angles C4'-P-C4' energy: -80.947
flat angles P-C4'-P energy: -45.434
tors. eta vs tors. theta energy: 14.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1628.783313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.783313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.783313 (E_RNA)
where:
Base-Base interactions energy: -1118.683
where: short stacking energy: -480.637
Base-Backbone interact. energy: -0.992
local terms energy: -509.108039
where:
bonds (distance) C4'-P energy: -79.688
bonds (distance) P-C4' energy: -105.718
flat angles C4'-P-C4' energy: -123.511
flat angles P-C4'-P energy: -66.474
tors. eta vs tors. theta energy: -133.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1524.471218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.471218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.471218 (E_RNA)
where:
Base-Base interactions energy: -998.474
where: short stacking energy: -468.429
Base-Backbone interact. energy: -1.318
local terms energy: -524.678966
where:
bonds (distance) C4'-P energy: -98.240
bonds (distance) P-C4' energy: -106.469
flat angles C4'-P-C4' energy: -114.606
flat angles P-C4'-P energy: -80.163
tors. eta vs tors. theta energy: -125.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1503.671994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.671994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.671994 (E_RNA)
where:
Base-Base interactions energy: -1000.047
where: short stacking energy: -457.942
Base-Backbone interact. energy: 0.805
local terms energy: -504.429701
where:
bonds (distance) C4'-P energy: -109.527
bonds (distance) P-C4' energy: -107.022
flat angles C4'-P-C4' energy: -97.671
flat angles P-C4'-P energy: -64.612
tors. eta vs tors. theta energy: -125.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1346.332563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.332563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.332563 (E_RNA)
where:
Base-Base interactions energy: -877.422
where: short stacking energy: -377.390
Base-Backbone interact. energy: 1.041
local terms energy: -469.951529
where:
bonds (distance) C4'-P energy: -97.945
bonds (distance) P-C4' energy: -92.842
flat angles C4'-P-C4' energy: -107.496
flat angles P-C4'-P energy: -54.628
tors. eta vs tors. theta energy: -117.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1306.717226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.717226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.717226 (E_RNA)
where:
Base-Base interactions energy: -844.335
where: short stacking energy: -379.429
Base-Backbone interact. energy: -0.302
local terms energy: -462.080175
where:
bonds (distance) C4'-P energy: -85.924
bonds (distance) P-C4' energy: -93.651
flat angles C4'-P-C4' energy: -104.162
flat angles P-C4'-P energy: -66.236
tors. eta vs tors. theta energy: -112.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1022.161076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.161076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.161076 (E_RNA)
where:
Base-Base interactions energy: -645.905
where: short stacking energy: -316.526
Base-Backbone interact. energy: 1.767
local terms energy: -378.023956
where:
bonds (distance) C4'-P energy: -73.241
bonds (distance) P-C4' energy: -92.683
flat angles C4'-P-C4' energy: -96.606
flat angles P-C4'-P energy: -54.287
tors. eta vs tors. theta energy: -61.206
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: 7, replica: 1
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -953.372897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.372897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.372897 (E_RNA)
where:
Base-Base interactions energy: -537.321
where: short stacking energy: -264.290
Base-Backbone interact. energy: -2.006
local terms energy: -414.045655
where:
bonds (distance) C4'-P energy: -91.014
bonds (distance) P-C4' energy: -101.989
flat angles C4'-P-C4' energy: -101.387
flat angles P-C4'-P energy: -48.709
tors. eta vs tors. theta energy: -70.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -733.692637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.692637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.692637 (E_RNA)
where:
Base-Base interactions energy: -419.771
where: short stacking energy: -220.801
Base-Backbone interact. energy: 2.506
local terms energy: -316.427649
where:
bonds (distance) C4'-P energy: -78.656
bonds (distance) P-C4' energy: -90.063
flat angles C4'-P-C4' energy: -77.243
flat angles P-C4'-P energy: -43.085
tors. eta vs tors. theta energy: -27.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -552.301988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.301988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.301988 (E_RNA)
where:
Base-Base interactions energy: -251.042
where: short stacking energy: -159.015
Base-Backbone interact. energy: -2.328
local terms energy: -298.932320
where:
bonds (distance) C4'-P energy: -82.262
bonds (distance) P-C4' energy: -91.688
flat angles C4'-P-C4' energy: -72.007
flat angles P-C4'-P energy: -57.549
tors. eta vs tors. theta energy: 4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -430.234428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.234428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.234428 (E_RNA)
where:
Base-Base interactions energy: -175.021
where: short stacking energy: -123.095
Base-Backbone interact. energy: 1.294
local terms energy: -256.506558
where:
bonds (distance) C4'-P energy: -83.705
bonds (distance) P-C4' energy: -82.026
flat angles C4'-P-C4' energy: -68.814
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: 14.950
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: 1, replica: 3
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1630.320911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.320911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.320911 (E_RNA)
where:
Base-Base interactions energy: -1091.269
where: short stacking energy: -458.007
Base-Backbone interact. energy: -2.150
local terms energy: -536.901436
where:
bonds (distance) C4'-P energy: -103.982
bonds (distance) P-C4' energy: -119.800
flat angles C4'-P-C4' energy: -116.558
flat angles P-C4'-P energy: -68.260
tors. eta vs tors. theta energy: -128.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1549.410238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.410238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.410238 (E_RNA)
where:
Base-Base interactions energy: -1011.864
where: short stacking energy: -485.050
Base-Backbone interact. energy: -0.632
local terms energy: -536.913769
where:
bonds (distance) C4'-P energy: -97.250
bonds (distance) P-C4' energy: -103.393
flat angles C4'-P-C4' energy: -120.911
flat angles P-C4'-P energy: -79.492
tors. eta vs tors. theta energy: -135.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1466.837490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.837490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.837490 (E_RNA)
where:
Base-Base interactions energy: -975.439
where: short stacking energy: -428.116
Base-Backbone interact. energy: -2.350
local terms energy: -489.048398
where:
bonds (distance) C4'-P energy: -88.962
bonds (distance) P-C4' energy: -95.964
flat angles C4'-P-C4' energy: -105.376
flat angles P-C4'-P energy: -83.970
tors. eta vs tors. theta energy: -114.776
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: 8
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1372.616001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.616001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.616001 (E_RNA)
where:
Base-Base interactions energy: -892.962
where: short stacking energy: -380.339
Base-Backbone interact. energy: -0.693
local terms energy: -478.960928
where:
bonds (distance) C4'-P energy: -105.667
bonds (distance) P-C4' energy: -99.630
flat angles C4'-P-C4' energy: -96.398
flat angles P-C4'-P energy: -85.502
tors. eta vs tors. theta energy: -91.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1315.549726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.549726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.549726 (E_RNA)
where:
Base-Base interactions energy: -863.874
where: short stacking energy: -380.563
Base-Backbone interact. energy: -2.005
local terms energy: -449.670763
where:
bonds (distance) C4'-P energy: -98.170
bonds (distance) P-C4' energy: -88.739
flat angles C4'-P-C4' energy: -94.111
flat angles P-C4'-P energy: -62.160
tors. eta vs tors. theta energy: -106.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1097.372374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.372374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.372374 (E_RNA)
where:
Base-Base interactions energy: -673.926
where: short stacking energy: -329.743
Base-Backbone interact. energy: 1.414
local terms energy: -424.860481
where:
bonds (distance) C4'-P energy: -91.871
bonds (distance) P-C4' energy: -100.731
flat angles C4'-P-C4' energy: -90.437
flat angles P-C4'-P energy: -56.989
tors. eta vs tors. theta energy: -84.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -964.892766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.892766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.892766 (E_RNA)
where:
Base-Base interactions energy: -564.151
where: short stacking energy: -280.941
Base-Backbone interact. energy: -1.592
local terms energy: -399.149906
where:
bonds (distance) C4'-P energy: -89.706
bonds (distance) P-C4' energy: -98.050
flat angles C4'-P-C4' energy: -90.564
flat angles P-C4'-P energy: -66.261
tors. eta vs tors. theta energy: -54.569
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: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -758.511654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.511654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.511654 (E_RNA)
where:
Base-Base interactions energy: -405.549
where: short stacking energy: -215.487
Base-Backbone interact. energy: -2.465
local terms energy: -350.498050
where:
bonds (distance) C4'-P energy: -82.669
bonds (distance) P-C4' energy: -99.258
flat angles C4'-P-C4' energy: -89.444
flat angles P-C4'-P energy: -61.771
tors. eta vs tors. theta energy: -17.357
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: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -531.757753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.757753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.757753 (E_RNA)
where:
Base-Base interactions energy: -247.125
where: short stacking energy: -163.206
Base-Backbone interact. energy: -2.164
local terms energy: -282.468658
where:
bonds (distance) C4'-P energy: -82.153
bonds (distance) P-C4' energy: -85.115
flat angles C4'-P-C4' energy: -74.876
flat angles P-C4'-P energy: -42.589
tors. eta vs tors. theta energy: 2.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -459.496306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.496306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.496306 (E_RNA)
where:
Base-Base interactions energy: -163.703
where: short stacking energy: -127.195
Base-Backbone interact. energy: -1.847
local terms energy: -293.946731
where:
bonds (distance) C4'-P energy: -84.793
bonds (distance) P-C4' energy: -81.575
flat angles C4'-P-C4' energy: -79.993
flat angles P-C4'-P energy: -47.914
tors. eta vs tors. theta energy: 0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1613.343812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.343812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.343812 (E_RNA)
where:
Base-Base interactions energy: -1080.959
where: short stacking energy: -456.609
Base-Backbone interact. energy: -4.093
local terms energy: -528.291726
where:
bonds (distance) C4'-P energy: -107.451
bonds (distance) P-C4' energy: -95.758
flat angles C4'-P-C4' energy: -112.502
flat angles P-C4'-P energy: -81.195
tors. eta vs tors. theta energy: -131.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1552.351175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.351175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.351175 (E_RNA)
where:
Base-Base interactions energy: -1000.509
where: short stacking energy: -485.223
Base-Backbone interact. energy: -0.973
local terms energy: -550.869297
where:
bonds (distance) C4'-P energy: -105.827
bonds (distance) P-C4' energy: -107.404
flat angles C4'-P-C4' energy: -108.789
flat angles P-C4'-P energy: -83.335
tors. eta vs tors. theta energy: -145.515
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: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1462.356084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.356084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.356084 (E_RNA)
where:
Base-Base interactions energy: -992.064
where: short stacking energy: -443.221
Base-Backbone interact. energy: -2.980
local terms energy: -467.312934
where:
bonds (distance) C4'-P energy: -82.253
bonds (distance) P-C4' energy: -95.846
flat angles C4'-P-C4' energy: -107.852
flat angles P-C4'-P energy: -65.855
tors. eta vs tors. theta energy: -115.507
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: 4, replica: 8
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1370.434349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.434349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.434349 (E_RNA)
where:
Base-Base interactions energy: -900.059
where: short stacking energy: -422.514
Base-Backbone interact. energy: -2.102
local terms energy: -468.273515
where:
bonds (distance) C4'-P energy: -84.401
bonds (distance) P-C4' energy: -98.457
flat angles C4'-P-C4' energy: -108.886
flat angles P-C4'-P energy: -72.175
tors. eta vs tors. theta energy: -104.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1328.193066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.193066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.193066 (E_RNA)
where:
Base-Base interactions energy: -867.612
where: short stacking energy: -386.317
Base-Backbone interact. energy: -0.678
local terms energy: -459.902957
where:
bonds (distance) C4'-P energy: -83.888
bonds (distance) P-C4' energy: -93.300
flat angles C4'-P-C4' energy: -106.750
flat angles P-C4'-P energy: -70.996
tors. eta vs tors. theta energy: -104.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1192.139901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.139901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.139901 (E_RNA)
where:
Base-Base interactions energy: -753.041
where: short stacking energy: -354.415
Base-Backbone interact. energy: -1.432
local terms energy: -437.667013
where:
bonds (distance) C4'-P energy: -85.759
bonds (distance) P-C4' energy: -94.925
flat angles C4'-P-C4' energy: -95.384
flat angles P-C4'-P energy: -64.398
tors. eta vs tors. theta energy: -97.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1035.353628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.353628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.353628 (E_RNA)
where:
Base-Base interactions energy: -640.158
where: short stacking energy: -326.739
Base-Backbone interact. energy: 0.654
local terms energy: -395.849638
where:
bonds (distance) C4'-P energy: -94.049
bonds (distance) P-C4' energy: -86.344
flat angles C4'-P-C4' energy: -103.135
flat angles P-C4'-P energy: -49.283
tors. eta vs tors. theta energy: -63.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -751.021008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.021008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.021008 (E_RNA)
where:
Base-Base interactions energy: -399.785
where: short stacking energy: -227.447
Base-Backbone interact. energy: 0.409
local terms energy: -351.644675
where:
bonds (distance) C4'-P energy: -104.961
bonds (distance) P-C4' energy: -90.534
flat angles C4'-P-C4' energy: -73.028
flat angles P-C4'-P energy: -48.508
tors. eta vs tors. theta energy: -34.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -508.984546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.984546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.984546 (E_RNA)
where:
Base-Base interactions energy: -205.304
where: short stacking energy: -128.496
Base-Backbone interact. energy: 3.622
local terms energy: -307.302633
where:
bonds (distance) C4'-P energy: -88.751
bonds (distance) P-C4' energy: -95.282
flat angles C4'-P-C4' energy: -74.595
flat angles P-C4'-P energy: -54.860
tors. eta vs tors. theta energy: 6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -482.042990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.042990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.042990 (E_RNA)
where:
Base-Base interactions energy: -191.537
where: short stacking energy: -143.683
Base-Backbone interact. energy: -0.984
local terms energy: -289.521408
where:
bonds (distance) C4'-P energy: -73.210
bonds (distance) P-C4' energy: -98.765
flat angles C4'-P-C4' energy: -80.635
flat angles P-C4'-P energy: -37.306
tors. eta vs tors. theta energy: 0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1637.912984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.912984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.912984 (E_RNA)
where:
Base-Base interactions energy: -1113.651
where: short stacking energy: -470.792
Base-Backbone interact. energy: -2.620
local terms energy: -521.641922
where:
bonds (distance) C4'-P energy: -104.424
bonds (distance) P-C4' energy: -92.412
flat angles C4'-P-C4' energy: -106.617
flat angles P-C4'-P energy: -81.593
tors. eta vs tors. theta energy: -136.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1562.947631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.947631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.947631 (E_RNA)
where:
Base-Base interactions energy: -1014.620
where: short stacking energy: -484.202
Base-Backbone interact. energy: 2.103
local terms energy: -550.429843
where:
bonds (distance) C4'-P energy: -108.311
bonds (distance) P-C4' energy: -110.752
flat angles C4'-P-C4' energy: -124.933
flat angles P-C4'-P energy: -65.163
tors. eta vs tors. theta energy: -141.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1501.694285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.694285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.694285 (E_RNA)
where:
Base-Base interactions energy: -1016.099
where: short stacking energy: -444.855
Base-Backbone interact. energy: -0.597
local terms energy: -484.997877
where:
bonds (distance) C4'-P energy: -91.029
bonds (distance) P-C4' energy: -94.923
flat angles C4'-P-C4' energy: -115.135
flat angles P-C4'-P energy: -62.030
tors. eta vs tors. theta energy: -121.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1374.664692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.664692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.664692 (E_RNA)
where:
Base-Base interactions energy: -894.192
where: short stacking energy: -384.624
Base-Backbone interact. energy: 2.128
local terms energy: -482.600092
where:
bonds (distance) C4'-P energy: -101.465
bonds (distance) P-C4' energy: -115.279
flat angles C4'-P-C4' energy: -98.328
flat angles P-C4'-P energy: -66.616
tors. eta vs tors. theta energy: -100.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1282.528031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.528031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.528031 (E_RNA)
where:
Base-Base interactions energy: -853.158
where: short stacking energy: -365.830
Base-Backbone interact. energy: -1.718
local terms energy: -427.652378
where:
bonds (distance) C4'-P energy: -87.361
bonds (distance) P-C4' energy: -90.659
flat angles C4'-P-C4' energy: -91.351
flat angles P-C4'-P energy: -68.091
tors. eta vs tors. theta energy: -90.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1170.021042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.021042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.021042 (E_RNA)
where:
Base-Base interactions energy: -756.162
where: short stacking energy: -354.568
Base-Backbone interact. energy: 2.596
local terms energy: -416.455486
where:
bonds (distance) C4'-P energy: -81.397
bonds (distance) P-C4' energy: -93.455
flat angles C4'-P-C4' energy: -100.387
flat angles P-C4'-P energy: -60.226
tors. eta vs tors. theta energy: -80.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1035.440288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.440288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.440288 (E_RNA)
where:
Base-Base interactions energy: -645.851
where: short stacking energy: -315.084
Base-Backbone interact. energy: -0.423
local terms energy: -389.166928
where:
bonds (distance) C4'-P energy: -100.912
bonds (distance) P-C4' energy: -84.053
flat angles C4'-P-C4' energy: -81.667
flat angles P-C4'-P energy: -47.595
tors. eta vs tors. theta energy: -74.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -717.448775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.448775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.448775 (E_RNA)
where:
Base-Base interactions energy: -413.758
where: short stacking energy: -207.479
Base-Backbone interact. energy: -0.733
local terms energy: -302.957335
where:
bonds (distance) C4'-P energy: -77.143
bonds (distance) P-C4' energy: -92.118
flat angles C4'-P-C4' energy: -85.587
flat angles P-C4'-P energy: -45.227
tors. eta vs tors. theta energy: -2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -489.575376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.575376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.575376 (E_RNA)
where:
Base-Base interactions energy: -210.080
where: short stacking energy: -123.992
Base-Backbone interact. energy: 3.888
local terms energy: -283.383435
where:
bonds (distance) C4'-P energy: -102.201
bonds (distance) P-C4' energy: -89.472
flat angles C4'-P-C4' energy: -65.487
flat angles P-C4'-P energy: -43.294
tors. eta vs tors. theta energy: 17.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -450.101314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.101314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.101314 (E_RNA)
where:
Base-Base interactions energy: -203.137
where: short stacking energy: -146.410
Base-Backbone interact. energy: 2.541
local terms energy: -249.505075
where:
bonds (distance) C4'-P energy: -82.398
bonds (distance) P-C4' energy: -79.839
flat angles C4'-P-C4' energy: -69.777
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: 14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1622.321228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.321228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.321228 (E_RNA)
where:
Base-Base interactions energy: -1108.613
where: short stacking energy: -491.400
Base-Backbone interact. energy: -1.028
local terms energy: -512.680732
where:
bonds (distance) C4'-P energy: -97.663
bonds (distance) P-C4' energy: -98.231
flat angles C4'-P-C4' energy: -103.607
flat angles P-C4'-P energy: -71.119
tors. eta vs tors. theta energy: -142.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1549.949279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.949279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.949279 (E_RNA)
where:
Base-Base interactions energy: -1030.396
where: short stacking energy: -495.270
Base-Backbone interact. energy: -1.214
local terms energy: -518.338458
where:
bonds (distance) C4'-P energy: -89.288
bonds (distance) P-C4' energy: -108.618
flat angles C4'-P-C4' energy: -104.789
flat angles P-C4'-P energy: -79.832
tors. eta vs tors. theta energy: -135.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1506.171414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.171414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.171414 (E_RNA)
where:
Base-Base interactions energy: -1006.208
where: short stacking energy: -445.663
Base-Backbone interact. energy: -0.825
local terms energy: -499.138541
where:
bonds (distance) C4'-P energy: -116.760
bonds (distance) P-C4' energy: -101.053
flat angles C4'-P-C4' energy: -102.642
flat angles P-C4'-P energy: -62.734
tors. eta vs tors. theta energy: -115.950
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: 4, replica: 8
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1359.897059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.897059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.897059 (E_RNA)
where:
Base-Base interactions energy: -877.788
where: short stacking energy: -376.220
Base-Backbone interact. energy: -0.999
local terms energy: -481.110256
where:
bonds (distance) C4'-P energy: -93.841
bonds (distance) P-C4' energy: -101.838
flat angles C4'-P-C4' energy: -120.887
flat angles P-C4'-P energy: -65.265
tors. eta vs tors. theta energy: -99.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1280.289695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.289695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.289695 (E_RNA)
where:
Base-Base interactions energy: -836.084
where: short stacking energy: -372.925
Base-Backbone interact. energy: -1.674
local terms energy: -442.531537
where:
bonds (distance) C4'-P energy: -81.859
bonds (distance) P-C4' energy: -100.041
flat angles C4'-P-C4' energy: -98.354
flat angles P-C4'-P energy: -54.877
tors. eta vs tors. theta energy: -107.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1153.863725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.863725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.863725 (E_RNA)
where:
Base-Base interactions energy: -709.485
where: short stacking energy: -336.422
Base-Backbone interact. energy: 3.459
local terms energy: -447.838375
where:
bonds (distance) C4'-P energy: -102.835
bonds (distance) P-C4' energy: -85.815
flat angles C4'-P-C4' energy: -97.453
flat angles P-C4'-P energy: -71.205
tors. eta vs tors. theta energy: -90.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -969.256081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.256081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.256081 (E_RNA)
where:
Base-Base interactions energy: -591.545
where: short stacking energy: -281.730
Base-Backbone interact. energy: 0.087
local terms energy: -377.798586
where:
bonds (distance) C4'-P energy: -78.026
bonds (distance) P-C4' energy: -104.807
flat angles C4'-P-C4' energy: -88.492
flat angles P-C4'-P energy: -47.880
tors. eta vs tors. theta energy: -58.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -726.702565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.702565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.702565 (E_RNA)
where:
Base-Base interactions energy: -401.927
where: short stacking energy: -222.867
Base-Backbone interact. energy: 1.763
local terms energy: -326.537715
where:
bonds (distance) C4'-P energy: -78.366
bonds (distance) P-C4' energy: -75.423
flat angles C4'-P-C4' energy: -83.671
flat angles P-C4'-P energy: -60.453
tors. eta vs tors. theta energy: -28.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -484.621646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.621646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.621646 (E_RNA)
where:
Base-Base interactions energy: -174.504
where: short stacking energy: -148.385
Base-Backbone interact. energy: 8.591
local terms energy: -318.708607
where:
bonds (distance) C4'-P energy: -87.582
bonds (distance) P-C4' energy: -88.850
flat angles C4'-P-C4' energy: -92.859
flat angles P-C4'-P energy: -41.978
tors. eta vs tors. theta energy: -7.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -468.879647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.879647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.879647 (E_RNA)
where:
Base-Base interactions energy: -200.632
where: short stacking energy: -145.350
Base-Backbone interact. energy: 1.830
local terms energy: -270.078154
where:
bonds (distance) C4'-P energy: -68.989
bonds (distance) P-C4' energy: -88.698
flat angles C4'-P-C4' energy: -65.334
flat angles P-C4'-P energy: -48.574
tors. eta vs tors. theta energy: 1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1635.824875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.824875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.824875 (E_RNA)
where:
Base-Base interactions energy: -1097.478
where: short stacking energy: -472.266
Base-Backbone interact. energy: -2.505
local terms energy: -535.841595
where:
bonds (distance) C4'-P energy: -105.581
bonds (distance) P-C4' energy: -102.016
flat angles C4'-P-C4' energy: -118.097
flat angles P-C4'-P energy: -68.843
tors. eta vs tors. theta energy: -141.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1549.947217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.947217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.947217 (E_RNA)
where:
Base-Base interactions energy: -1052.022
where: short stacking energy: -465.961
Base-Backbone interact. energy: 1.176
local terms energy: -499.101215
where:
bonds (distance) C4'-P energy: -96.910
bonds (distance) P-C4' energy: -99.286
flat angles C4'-P-C4' energy: -109.722
flat angles P-C4'-P energy: -72.492
tors. eta vs tors. theta energy: -120.691
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: 7
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1476.744818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.744818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.744818 (E_RNA)
where:
Base-Base interactions energy: -976.732
where: short stacking energy: -460.070
Base-Backbone interact. energy: -1.412
local terms energy: -498.601410
where:
bonds (distance) C4'-P energy: -97.055
bonds (distance) P-C4' energy: -91.202
flat angles C4'-P-C4' energy: -106.032
flat angles P-C4'-P energy: -70.718
tors. eta vs tors. theta energy: -133.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1341.877817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.877817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.877817 (E_RNA)
where:
Base-Base interactions energy: -870.783
where: short stacking energy: -394.821
Base-Backbone interact. energy: -1.626
local terms energy: -469.468388
where:
bonds (distance) C4'-P energy: -82.492
bonds (distance) P-C4' energy: -102.563
flat angles C4'-P-C4' energy: -105.532
flat angles P-C4'-P energy: -69.569
tors. eta vs tors. theta energy: -109.313
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: 5, replica: 6
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1311.329594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.329594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.329594 (E_RNA)
where:
Base-Base interactions energy: -862.797
where: short stacking energy: -380.876
Base-Backbone interact. energy: -4.014
local terms energy: -444.518516
where:
bonds (distance) C4'-P energy: -89.108
bonds (distance) P-C4' energy: -101.677
flat angles C4'-P-C4' energy: -83.018
flat angles P-C4'-P energy: -51.414
tors. eta vs tors. theta energy: -119.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1121.036997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.036997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.036997 (E_RNA)
where:
Base-Base interactions energy: -710.497
where: short stacking energy: -329.004
Base-Backbone interact. energy: 0.529
local terms energy: -411.069545
where:
bonds (distance) C4'-P energy: -89.180
bonds (distance) P-C4' energy: -91.885
flat angles C4'-P-C4' energy: -96.394
flat angles P-C4'-P energy: -57.821
tors. eta vs tors. theta energy: -75.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -926.937354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.937354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.937354 (E_RNA)
where:
Base-Base interactions energy: -554.897
where: short stacking energy: -263.947
Base-Backbone interact. energy: -1.885
local terms energy: -370.155755
where:
bonds (distance) C4'-P energy: -81.298
bonds (distance) P-C4' energy: -88.248
flat angles C4'-P-C4' energy: -94.451
flat angles P-C4'-P energy: -61.085
tors. eta vs tors. theta energy: -45.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -775.824200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.824200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.824200 (E_RNA)
where:
Base-Base interactions energy: -445.717
where: short stacking energy: -272.267
Base-Backbone interact. energy: 2.322
local terms energy: -332.429300
where:
bonds (distance) C4'-P energy: -68.269
bonds (distance) P-C4' energy: -89.846
flat angles C4'-P-C4' energy: -90.146
flat angles P-C4'-P energy: -51.399
tors. eta vs tors. theta energy: -32.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -526.530977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.530977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.530977 (E_RNA)
where:
Base-Base interactions energy: -229.052
where: short stacking energy: -125.078
Base-Backbone interact. energy: -0.222
local terms energy: -297.256996
where:
bonds (distance) C4'-P energy: -89.378
bonds (distance) P-C4' energy: -104.190
flat angles C4'-P-C4' energy: -69.479
flat angles P-C4'-P energy: -55.272
tors. eta vs tors. theta energy: 21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -474.407628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.407628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.407628 (E_RNA)
where:
Base-Base interactions energy: -208.340
where: short stacking energy: -142.645
Base-Backbone interact. energy: -1.965
local terms energy: -264.103052
where:
bonds (distance) C4'-P energy: -72.300
bonds (distance) P-C4' energy: -85.481
flat angles C4'-P-C4' energy: -61.663
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -15.082
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: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1619.184195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.184195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.184195 (E_RNA)
where:
Base-Base interactions energy: -1093.963
where: short stacking energy: -474.406
Base-Backbone interact. energy: -2.967
local terms energy: -522.254044
where:
bonds (distance) C4'-P energy: -103.437
bonds (distance) P-C4' energy: -98.213
flat angles C4'-P-C4' energy: -112.151
flat angles P-C4'-P energy: -74.836
tors. eta vs tors. theta energy: -133.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1560.117633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.117633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.117633 (E_RNA)
where:
Base-Base interactions energy: -1042.944
where: short stacking energy: -468.009
Base-Backbone interact. energy: -2.307
local terms energy: -514.866665
where:
bonds (distance) C4'-P energy: -96.119
bonds (distance) P-C4' energy: -100.550
flat angles C4'-P-C4' energy: -110.012
flat angles P-C4'-P energy: -82.591
tors. eta vs tors. theta energy: -125.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1508.610725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.610725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.610725 (E_RNA)
where:
Base-Base interactions energy: -979.007
where: short stacking energy: -469.914
Base-Backbone interact. energy: -2.721
local terms energy: -526.882984
where:
bonds (distance) C4'-P energy: -99.166
bonds (distance) P-C4' energy: -102.318
flat angles C4'-P-C4' energy: -104.907
flat angles P-C4'-P energy: -79.997
tors. eta vs tors. theta energy: -140.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1355.906217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.906217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.906217 (E_RNA)
where:
Base-Base interactions energy: -906.566
where: short stacking energy: -394.148
Base-Backbone interact. energy: 1.422
local terms energy: -450.761482
where:
bonds (distance) C4'-P energy: -83.100
bonds (distance) P-C4' energy: -96.474
flat angles C4'-P-C4' energy: -102.474
flat angles P-C4'-P energy: -63.934
tors. eta vs tors. theta energy: -104.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1341.310617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.310617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.310617 (E_RNA)
where:
Base-Base interactions energy: -862.350
where: short stacking energy: -405.394
Base-Backbone interact. energy: -1.404
local terms energy: -477.557207
where:
bonds (distance) C4'-P energy: -103.915
bonds (distance) P-C4' energy: -95.433
flat angles C4'-P-C4' energy: -98.166
flat angles P-C4'-P energy: -69.835
tors. eta vs tors. theta energy: -110.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1163.040949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.040949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.040949 (E_RNA)
where:
Base-Base interactions energy: -749.136
where: short stacking energy: -338.760
Base-Backbone interact. energy: -1.311
local terms energy: -412.594646
where:
bonds (distance) C4'-P energy: -88.152
bonds (distance) P-C4' energy: -95.796
flat angles C4'-P-C4' energy: -84.834
flat angles P-C4'-P energy: -50.188
tors. eta vs tors. theta energy: -93.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -924.214470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.214470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.214470 (E_RNA)
where:
Base-Base interactions energy: -533.106
where: short stacking energy: -271.384
Base-Backbone interact. energy: -1.571
local terms energy: -389.537356
where:
bonds (distance) C4'-P energy: -95.917
bonds (distance) P-C4' energy: -97.179
flat angles C4'-P-C4' energy: -82.013
flat angles P-C4'-P energy: -52.909
tors. eta vs tors. theta energy: -61.520
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: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -728.892155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.892155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.892155 (E_RNA)
where:
Base-Base interactions energy: -415.146
where: short stacking energy: -233.811
Base-Backbone interact. energy: 0.977
local terms energy: -314.723098
where:
bonds (distance) C4'-P energy: -59.106
bonds (distance) P-C4' energy: -89.794
flat angles C4'-P-C4' energy: -90.916
flat angles P-C4'-P energy: -43.033
tors. eta vs tors. theta energy: -31.875
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: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -534.676929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.676929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.676929 (E_RNA)
where:
Base-Base interactions energy: -248.732
where: short stacking energy: -148.444
Base-Backbone interact. energy: -2.240
local terms energy: -283.705296
where:
bonds (distance) C4'-P energy: -84.498
bonds (distance) P-C4' energy: -89.791
flat angles C4'-P-C4' energy: -77.157
flat angles P-C4'-P energy: -41.674
tors. eta vs tors. theta energy: 9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -487.910058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.910058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.910058 (E_RNA)
where:
Base-Base interactions energy: -215.081
where: short stacking energy: -146.407
Base-Backbone interact. energy: -0.307
local terms energy: -272.521651
where:
bonds (distance) C4'-P energy: -82.812
bonds (distance) P-C4' energy: -88.087
flat angles C4'-P-C4' energy: -54.715
flat angles P-C4'-P energy: -40.061
tors. eta vs tors. theta energy: -6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1640.629028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.629028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.629028 (E_RNA)
where:
Base-Base interactions energy: -1100.213
where: short stacking energy: -490.233
Base-Backbone interact. energy: -2.670
local terms energy: -537.746072
where:
bonds (distance) C4'-P energy: -107.741
bonds (distance) P-C4' energy: -111.936
flat angles C4'-P-C4' energy: -113.018
flat angles P-C4'-P energy: -70.829
tors. eta vs tors. theta energy: -134.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1546.716029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.716029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.716029 (E_RNA)
where:
Base-Base interactions energy: -1026.899
where: short stacking energy: -439.313
Base-Backbone interact. energy: -3.669
local terms energy: -516.147360
where:
bonds (distance) C4'-P energy: -101.286
bonds (distance) P-C4' energy: -106.217
flat angles C4'-P-C4' energy: -122.468
flat angles P-C4'-P energy: -63.487
tors. eta vs tors. theta energy: -122.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1519.717164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.717164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.717164 (E_RNA)
where:
Base-Base interactions energy: -1018.249
where: short stacking energy: -476.776
Base-Backbone interact. energy: -1.383
local terms energy: -500.084865
where:
bonds (distance) C4'-P energy: -88.578
bonds (distance) P-C4' energy: -106.203
flat angles C4'-P-C4' energy: -105.865
flat angles P-C4'-P energy: -64.465
tors. eta vs tors. theta energy: -134.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1355.478606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.478606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.478606 (E_RNA)
where:
Base-Base interactions energy: -888.484
where: short stacking energy: -403.153
Base-Backbone interact. energy: -0.485
local terms energy: -466.509220
where:
bonds (distance) C4'-P energy: -98.566
bonds (distance) P-C4' energy: -93.081
flat angles C4'-P-C4' energy: -102.418
flat angles P-C4'-P energy: -58.506
tors. eta vs tors. theta energy: -113.939
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: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1318.757602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.757602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.757602 (E_RNA)
where:
Base-Base interactions energy: -873.281
where: short stacking energy: -388.519
Base-Backbone interact. energy: -0.786
local terms energy: -444.690411
where:
bonds (distance) C4'-P energy: -88.297
bonds (distance) P-C4' energy: -85.915
flat angles C4'-P-C4' energy: -96.171
flat angles P-C4'-P energy: -59.199
tors. eta vs tors. theta energy: -115.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1182.683322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.683322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.683322 (E_RNA)
where:
Base-Base interactions energy: -740.237
where: short stacking energy: -321.409
Base-Backbone interact. energy: -1.397
local terms energy: -441.048988
where:
bonds (distance) C4'-P energy: -103.026
bonds (distance) P-C4' energy: -97.876
flat angles C4'-P-C4' energy: -94.922
flat angles P-C4'-P energy: -61.406
tors. eta vs tors. theta energy: -83.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -981.228610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.228610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.228610 (E_RNA)
where:
Base-Base interactions energy: -585.931
where: short stacking energy: -302.993
Base-Backbone interact. energy: -0.765
local terms energy: -394.532723
where:
bonds (distance) C4'-P energy: -79.620
bonds (distance) P-C4' energy: -91.185
flat angles C4'-P-C4' energy: -94.098
flat angles P-C4'-P energy: -59.096
tors. eta vs tors. theta energy: -70.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -730.635213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.635213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.635213 (E_RNA)
where:
Base-Base interactions energy: -407.823
where: short stacking energy: -215.240
Base-Backbone interact. energy: -2.315
local terms energy: -320.496918
where:
bonds (distance) C4'-P energy: -88.122
bonds (distance) P-C4' energy: -84.785
flat angles C4'-P-C4' energy: -84.346
flat angles P-C4'-P energy: -37.829
tors. eta vs tors. theta energy: -25.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -526.407588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.407588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.407588 (E_RNA)
where:
Base-Base interactions energy: -243.931
where: short stacking energy: -139.543
Base-Backbone interact. energy: 2.005
local terms energy: -284.481191
where:
bonds (distance) C4'-P energy: -92.772
bonds (distance) P-C4' energy: -77.772
flat angles C4'-P-C4' energy: -55.630
flat angles P-C4'-P energy: -50.559
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -521.700852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.700852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.700852 (E_RNA)
where:
Base-Base interactions energy: -240.990
where: short stacking energy: -141.092
Base-Backbone interact. energy: -3.010
local terms energy: -277.701153
where:
bonds (distance) C4'-P energy: -74.754
bonds (distance) P-C4' energy: -81.962
flat angles C4'-P-C4' energy: -79.310
flat angles P-C4'-P energy: -56.762
tors. eta vs tors. theta energy: 15.086
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: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1626.045206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.045206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.045206 (E_RNA)
where:
Base-Base interactions energy: -1088.207
where: short stacking energy: -464.399
Base-Backbone interact. energy: 0.270
local terms energy: -538.108527
where:
bonds (distance) C4'-P energy: -103.386
bonds (distance) P-C4' energy: -115.937
flat angles C4'-P-C4' energy: -117.859
flat angles P-C4'-P energy: -75.280
tors. eta vs tors. theta energy: -125.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1549.365140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.365140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.365140 (E_RNA)
where:
Base-Base interactions energy: -1020.735
where: short stacking energy: -448.613
Base-Backbone interact. energy: -0.720
local terms energy: -527.909542
where:
bonds (distance) C4'-P energy: -107.658
bonds (distance) P-C4' energy: -100.204
flat angles C4'-P-C4' energy: -112.088
flat angles P-C4'-P energy: -82.938
tors. eta vs tors. theta energy: -125.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1500.962611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.962611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.962611 (E_RNA)
where:
Base-Base interactions energy: -1000.345
where: short stacking energy: -452.666
Base-Backbone interact. energy: -2.580
local terms energy: -498.037358
where:
bonds (distance) C4'-P energy: -91.213
bonds (distance) P-C4' energy: -91.916
flat angles C4'-P-C4' energy: -113.589
flat angles P-C4'-P energy: -67.538
tors. eta vs tors. theta energy: -133.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1365.967055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.967055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.967055 (E_RNA)
where:
Base-Base interactions energy: -893.720
where: short stacking energy: -391.692
Base-Backbone interact. energy: -0.546
local terms energy: -471.700998
where:
bonds (distance) C4'-P energy: -100.634
bonds (distance) P-C4' energy: -98.480
flat angles C4'-P-C4' energy: -107.999
flat angles P-C4'-P energy: -68.387
tors. eta vs tors. theta energy: -96.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1334.400800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.400800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.400800 (E_RNA)
where:
Base-Base interactions energy: -872.757
where: short stacking energy: -421.369
Base-Backbone interact. energy: -1.177
local terms energy: -460.466055
where:
bonds (distance) C4'-P energy: -94.621
bonds (distance) P-C4' energy: -102.336
flat angles C4'-P-C4' energy: -86.420
flat angles P-C4'-P energy: -61.202
tors. eta vs tors. theta energy: -115.886
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: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1207.512768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.512768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.512768 (E_RNA)
where:
Base-Base interactions energy: -791.383
where: short stacking energy: -343.304
Base-Backbone interact. energy: 0.092
local terms energy: -416.221339
where:
bonds (distance) C4'-P energy: -81.688
bonds (distance) P-C4' energy: -100.020
flat angles C4'-P-C4' energy: -91.795
flat angles P-C4'-P energy: -61.730
tors. eta vs tors. theta energy: -80.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -935.336587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.336587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.336587 (E_RNA)
where:
Base-Base interactions energy: -569.894
where: short stacking energy: -266.937
Base-Backbone interact. energy: 1.223
local terms energy: -366.666023
where:
bonds (distance) C4'-P energy: -76.370
bonds (distance) P-C4' energy: -100.996
flat angles C4'-P-C4' energy: -83.291
flat angles P-C4'-P energy: -49.323
tors. eta vs tors. theta energy: -56.686
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: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -739.233295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.233295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.233295 (E_RNA)
where:
Base-Base interactions energy: -398.889
where: short stacking energy: -225.582
Base-Backbone interact. energy: 0.205
local terms energy: -340.548809
where:
bonds (distance) C4'-P energy: -91.180
bonds (distance) P-C4' energy: -99.811
flat angles C4'-P-C4' energy: -75.320
flat angles P-C4'-P energy: -40.854
tors. eta vs tors. theta energy: -33.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -580.385718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.385718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.385718 (E_RNA)
where:
Base-Base interactions energy: -281.881
where: short stacking energy: -159.237
Base-Backbone interact. energy: 0.951
local terms energy: -299.455813
where:
bonds (distance) C4'-P energy: -82.599
bonds (distance) P-C4' energy: -79.015
flat angles C4'-P-C4' energy: -83.120
flat angles P-C4'-P energy: -51.717
tors. eta vs tors. theta energy: -3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -517.407076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.407076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.407076 (E_RNA)
where:
Base-Base interactions energy: -227.492
where: short stacking energy: -139.841
Base-Backbone interact. energy: -0.671
local terms energy: -289.244237
where:
bonds (distance) C4'-P energy: -99.648
bonds (distance) P-C4' energy: -95.104
flat angles C4'-P-C4' energy: -66.500
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: 0.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1628.748543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.748543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.748543 (E_RNA)
where:
Base-Base interactions energy: -1085.560
where: short stacking energy: -491.016
Base-Backbone interact. energy: -1.042
local terms energy: -542.146325
where:
bonds (distance) C4'-P energy: -99.916
bonds (distance) P-C4' energy: -105.198
flat angles C4'-P-C4' energy: -115.095
flat angles P-C4'-P energy: -80.540
tors. eta vs tors. theta energy: -141.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1574.664562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.664562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.664562 (E_RNA)
where:
Base-Base interactions energy: -1047.433
where: short stacking energy: -465.944
Base-Backbone interact. energy: -0.994
local terms energy: -526.237424
where:
bonds (distance) C4'-P energy: -94.266
bonds (distance) P-C4' energy: -115.409
flat angles C4'-P-C4' energy: -106.069
flat angles P-C4'-P energy: -84.726
tors. eta vs tors. theta energy: -125.768
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: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1500.492911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.492911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.492911 (E_RNA)
where:
Base-Base interactions energy: -997.112
where: short stacking energy: -443.068
Base-Backbone interact. energy: 0.099
local terms energy: -503.479986
where:
bonds (distance) C4'-P energy: -93.490
bonds (distance) P-C4' energy: -108.138
flat angles C4'-P-C4' energy: -114.730
flat angles P-C4'-P energy: -66.055
tors. eta vs tors. theta energy: -121.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1345.858569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.858569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.858569 (E_RNA)
where:
Base-Base interactions energy: -860.861
where: short stacking energy: -399.530
Base-Backbone interact. energy: 1.810
local terms energy: -486.807464
where:
bonds (distance) C4'-P energy: -104.904
bonds (distance) P-C4' energy: -106.629
flat angles C4'-P-C4' energy: -111.623
flat angles P-C4'-P energy: -54.039
tors. eta vs tors. theta energy: -109.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1294.945798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.945798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.945798 (E_RNA)
where:
Base-Base interactions energy: -845.134
where: short stacking energy: -403.749
Base-Backbone interact. energy: -0.695
local terms energy: -449.117358
where:
bonds (distance) C4'-P energy: -88.526
bonds (distance) P-C4' energy: -93.154
flat angles C4'-P-C4' energy: -100.762
flat angles P-C4'-P energy: -56.130
tors. eta vs tors. theta energy: -110.545
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: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1228.927775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.927775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.927775 (E_RNA)
where:
Base-Base interactions energy: -779.270
where: short stacking energy: -364.457
Base-Backbone interact. energy: 0.521
local terms energy: -450.178660
where:
bonds (distance) C4'-P energy: -88.742
bonds (distance) P-C4' energy: -100.730
flat angles C4'-P-C4' energy: -98.250
flat angles P-C4'-P energy: -68.268
tors. eta vs tors. theta energy: -94.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -977.005979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.005979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.005979 (E_RNA)
where:
Base-Base interactions energy: -606.520
where: short stacking energy: -284.943
Base-Backbone interact. energy: 2.981
local terms energy: -373.467153
where:
bonds (distance) C4'-P energy: -63.892
bonds (distance) P-C4' energy: -97.089
flat angles C4'-P-C4' energy: -83.295
flat angles P-C4'-P energy: -61.515
tors. eta vs tors. theta energy: -67.676
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: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -703.428728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.428728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.428728 (E_RNA)
where:
Base-Base interactions energy: -351.082
where: short stacking energy: -201.992
Base-Backbone interact. energy: -1.607
local terms energy: -350.739224
where:
bonds (distance) C4'-P energy: -79.364
bonds (distance) P-C4' energy: -102.425
flat angles C4'-P-C4' energy: -97.237
flat angles P-C4'-P energy: -43.165
tors. eta vs tors. theta energy: -28.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -649.384012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.384012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.384012 (E_RNA)
where:
Base-Base interactions energy: -366.133
where: short stacking energy: -186.584
Base-Backbone interact. energy: -0.662
local terms energy: -282.589283
where:
bonds (distance) C4'-P energy: -73.525
bonds (distance) P-C4' energy: -78.754
flat angles C4'-P-C4' energy: -52.788
flat angles P-C4'-P energy: -63.792
tors. eta vs tors. theta energy: -13.731
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: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -514.406767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.406767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.406767 (E_RNA)
where:
Base-Base interactions energy: -230.960
where: short stacking energy: -145.837
Base-Backbone interact. energy: 1.641
local terms energy: -285.088112
where:
bonds (distance) C4'-P energy: -81.603
bonds (distance) P-C4' energy: -81.815
flat angles C4'-P-C4' energy: -75.046
flat angles P-C4'-P energy: -42.934
tors. eta vs tors. theta energy: -3.690
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: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1624.270383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.270383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.270383 (E_RNA)
where:
Base-Base interactions energy: -1083.007
where: short stacking energy: -453.380
Base-Backbone interact. energy: -1.772
local terms energy: -539.490944
where:
bonds (distance) C4'-P energy: -101.897
bonds (distance) P-C4' energy: -109.975
flat angles C4'-P-C4' energy: -122.530
flat angles P-C4'-P energy: -73.869
tors. eta vs tors. theta energy: -131.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1585.644583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.644583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.644583 (E_RNA)
where:
Base-Base interactions energy: -1059.935
where: short stacking energy: -465.931
Base-Backbone interact. energy: -3.415
local terms energy: -522.294998
where:
bonds (distance) C4'-P energy: -101.126
bonds (distance) P-C4' energy: -99.266
flat angles C4'-P-C4' energy: -119.113
flat angles P-C4'-P energy: -72.105
tors. eta vs tors. theta energy: -130.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1462.738420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.738420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.738420 (E_RNA)
where:
Base-Base interactions energy: -956.667
where: short stacking energy: -434.576
Base-Backbone interact. energy: -2.818
local terms energy: -503.253370
where:
bonds (distance) C4'-P energy: -92.923
bonds (distance) P-C4' energy: -105.897
flat angles C4'-P-C4' energy: -107.044
flat angles P-C4'-P energy: -75.441
tors. eta vs tors. theta energy: -121.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1366.446462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.446462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.446462 (E_RNA)
where:
Base-Base interactions energy: -887.253
where: short stacking energy: -398.129
Base-Backbone interact. energy: 0.227
local terms energy: -479.420950
where:
bonds (distance) C4'-P energy: -90.074
bonds (distance) P-C4' energy: -106.581
flat angles C4'-P-C4' energy: -96.270
flat angles P-C4'-P energy: -75.146
tors. eta vs tors. theta energy: -111.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1314.956779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.956779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.956779 (E_RNA)
where:
Base-Base interactions energy: -838.335
where: short stacking energy: -396.408
Base-Backbone interact. energy: -2.850
local terms energy: -473.771136
where:
bonds (distance) C4'-P energy: -88.560
bonds (distance) P-C4' energy: -88.318
flat angles C4'-P-C4' energy: -109.826
flat angles P-C4'-P energy: -67.774
tors. eta vs tors. theta energy: -119.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1190.181049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.181049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.181049 (E_RNA)
where:
Base-Base interactions energy: -780.994
where: short stacking energy: -367.495
Base-Backbone interact. energy: -2.252
local terms energy: -406.935115
where:
bonds (distance) C4'-P energy: -98.485
bonds (distance) P-C4' energy: -78.038
flat angles C4'-P-C4' energy: -89.868
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: -92.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -929.927053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.927053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.927053 (E_RNA)
where:
Base-Base interactions energy: -563.788
where: short stacking energy: -278.234
Base-Backbone interact. energy: -0.093
local terms energy: -366.045404
where:
bonds (distance) C4'-P energy: -82.511
bonds (distance) P-C4' energy: -90.123
flat angles C4'-P-C4' energy: -85.976
flat angles P-C4'-P energy: -63.928
tors. eta vs tors. theta energy: -43.507
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: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -777.395831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.395831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.395831 (E_RNA)
where:
Base-Base interactions energy: -430.559
where: short stacking energy: -233.136
Base-Backbone interact. energy: -1.031
local terms energy: -345.806063
where:
bonds (distance) C4'-P energy: -71.967
bonds (distance) P-C4' energy: -95.416
flat angles C4'-P-C4' energy: -88.666
flat angles P-C4'-P energy: -59.346
tors. eta vs tors. theta energy: -30.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -553.926098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.926098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.926098 (E_RNA)
where:
Base-Base interactions energy: -252.312
where: short stacking energy: -147.784
Base-Backbone interact. energy: -0.714
local terms energy: -300.899510
where:
bonds (distance) C4'-P energy: -77.869
bonds (distance) P-C4' energy: -84.143
flat angles C4'-P-C4' energy: -79.494
flat angles P-C4'-P energy: -47.188
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -576.208530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.208530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.208530 (E_RNA)
where:
Base-Base interactions energy: -297.866
where: short stacking energy: -180.933
Base-Backbone interact. energy: 1.003
local terms energy: -279.345367
where:
bonds (distance) C4'-P energy: -73.785
bonds (distance) P-C4' energy: -78.738
flat angles C4'-P-C4' energy: -64.177
flat angles P-C4'-P energy: -53.461
tors. eta vs tors. theta energy: -9.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1600.613982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.613982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.613982 (E_RNA)
where:
Base-Base interactions energy: -1092.740
where: short stacking energy: -465.754
Base-Backbone interact. energy: -4.067
local terms energy: -503.806897
where:
bonds (distance) C4'-P energy: -96.706
bonds (distance) P-C4' energy: -101.550
flat angles C4'-P-C4' energy: -109.882
flat angles P-C4'-P energy: -58.148
tors. eta vs tors. theta energy: -137.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1570.107801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.107801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.107801 (E_RNA)
where:
Base-Base interactions energy: -1071.469
where: short stacking energy: -468.050
Base-Backbone interact. energy: -2.162
local terms energy: -498.176726
where:
bonds (distance) C4'-P energy: -106.945
bonds (distance) P-C4' energy: -94.548
flat angles C4'-P-C4' energy: -112.167
flat angles P-C4'-P energy: -66.371
tors. eta vs tors. theta energy: -118.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.701 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1470.699331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.699331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.699331 (E_RNA)
where:
Base-Base interactions energy: -986.715
where: short stacking energy: -445.534
Base-Backbone interact. energy: -1.551
local terms energy: -482.433921
where:
bonds (distance) C4'-P energy: -83.163
bonds (distance) P-C4' energy: -103.527
flat angles C4'-P-C4' energy: -107.032
flat angles P-C4'-P energy: -69.135
tors. eta vs tors. theta energy: -119.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1361.310187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.310187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.310187 (E_RNA)
where:
Base-Base interactions energy: -899.274
where: short stacking energy: -404.971
Base-Backbone interact. energy: -1.549
local terms energy: -460.487085
where:
bonds (distance) C4'-P energy: -96.357
bonds (distance) P-C4' energy: -95.815
flat angles C4'-P-C4' energy: -107.798
flat angles P-C4'-P energy: -56.019
tors. eta vs tors. theta energy: -104.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1308.645130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.645130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.645130 (E_RNA)
where:
Base-Base interactions energy: -828.263
where: short stacking energy: -386.250
Base-Backbone interact. energy: -1.988
local terms energy: -478.394691
where:
bonds (distance) C4'-P energy: -97.838
bonds (distance) P-C4' energy: -107.760
flat angles C4'-P-C4' energy: -99.391
flat angles P-C4'-P energy: -63.949
tors. eta vs tors. theta energy: -109.456
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: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1230.319759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.319759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.319759 (E_RNA)
where:
Base-Base interactions energy: -803.630
where: short stacking energy: -365.968
Base-Backbone interact. energy: -1.390
local terms energy: -425.300636
where:
bonds (distance) C4'-P energy: -85.366
bonds (distance) P-C4' energy: -90.999
flat angles C4'-P-C4' energy: -93.528
flat angles P-C4'-P energy: -59.577
tors. eta vs tors. theta energy: -95.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -936.950162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.950162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.950162 (E_RNA)
where:
Base-Base interactions energy: -562.144
where: short stacking energy: -275.893
Base-Backbone interact. energy: 0.855
local terms energy: -375.660699
where:
bonds (distance) C4'-P energy: -85.799
bonds (distance) P-C4' energy: -87.675
flat angles C4'-P-C4' energy: -100.245
flat angles P-C4'-P energy: -54.922
tors. eta vs tors. theta energy: -47.020
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: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -762.755450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.755450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.755450 (E_RNA)
where:
Base-Base interactions energy: -426.456
where: short stacking energy: -198.441
Base-Backbone interact. energy: 0.381
local terms energy: -336.680466
where:
bonds (distance) C4'-P energy: -85.736
bonds (distance) P-C4' energy: -92.651
flat angles C4'-P-C4' energy: -88.316
flat angles P-C4'-P energy: -41.787
tors. eta vs tors. theta energy: -28.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -528.710848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.710848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.710848 (E_RNA)
where:
Base-Base interactions energy: -255.513
where: short stacking energy: -174.837
Base-Backbone interact. energy: -3.297
local terms energy: -269.900425
where:
bonds (distance) C4'-P energy: -69.216
bonds (distance) P-C4' energy: -83.382
flat angles C4'-P-C4' energy: -70.009
flat angles P-C4'-P energy: -38.716
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -551.264367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.264367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.264367 (E_RNA)
where:
Base-Base interactions energy: -260.282
where: short stacking energy: -154.438
Base-Backbone interact. energy: -0.906
local terms energy: -290.075880
where:
bonds (distance) C4'-P energy: -86.974
bonds (distance) P-C4' energy: -102.404
flat angles C4'-P-C4' energy: -66.604
flat angles P-C4'-P energy: -31.030
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1591.985507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.985507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.985507 (E_RNA)
where:
Base-Base interactions energy: -1084.932
where: short stacking energy: -488.699
Base-Backbone interact. energy: -1.592
local terms energy: -505.461595
where:
bonds (distance) C4'-P energy: -98.338
bonds (distance) P-C4' energy: -109.516
flat angles C4'-P-C4' energy: -98.715
flat angles P-C4'-P energy: -60.256
tors. eta vs tors. theta energy: -138.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1572.179898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.179898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.179898 (E_RNA)
where:
Base-Base interactions energy: -1071.980
where: short stacking energy: -468.048
Base-Backbone interact. energy: 0.656
local terms energy: -500.855274
where:
bonds (distance) C4'-P energy: -95.303
bonds (distance) P-C4' energy: -101.023
flat angles C4'-P-C4' energy: -114.371
flat angles P-C4'-P energy: -68.860
tors. eta vs tors. theta energy: -121.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1456.027290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.027290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.027290 (E_RNA)
where:
Base-Base interactions energy: -977.098
where: short stacking energy: -428.475
Base-Backbone interact. energy: -1.198
local terms energy: -477.731463
where:
bonds (distance) C4'-P energy: -101.725
bonds (distance) P-C4' energy: -102.757
flat angles C4'-P-C4' energy: -101.132
flat angles P-C4'-P energy: -57.558
tors. eta vs tors. theta energy: -114.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1359.473365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.473365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.473365 (E_RNA)
where:
Base-Base interactions energy: -883.907
where: short stacking energy: -373.590
Base-Backbone interact. energy: -2.746
local terms energy: -472.820058
where:
bonds (distance) C4'-P energy: -96.888
bonds (distance) P-C4' energy: -108.149
flat angles C4'-P-C4' energy: -105.928
flat angles P-C4'-P energy: -55.109
tors. eta vs tors. theta energy: -106.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1274.105725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.105725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.105725 (E_RNA)
where:
Base-Base interactions energy: -825.780
where: short stacking energy: -376.940
Base-Backbone interact. energy: -0.654
local terms energy: -447.672048
where:
bonds (distance) C4'-P energy: -89.235
bonds (distance) P-C4' energy: -99.774
flat angles C4'-P-C4' energy: -100.834
flat angles P-C4'-P energy: -55.593
tors. eta vs tors. theta energy: -102.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1206.055725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.055725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.055725 (E_RNA)
where:
Base-Base interactions energy: -794.270
where: short stacking energy: -369.493
Base-Backbone interact. energy: 0.283
local terms energy: -412.068978
where:
bonds (distance) C4'-P energy: -82.554
bonds (distance) P-C4' energy: -83.902
flat angles C4'-P-C4' energy: -105.034
flat angles P-C4'-P energy: -51.027
tors. eta vs tors. theta energy: -89.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -973.030978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.030978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.030978 (E_RNA)
where:
Base-Base interactions energy: -584.103
where: short stacking energy: -287.179
Base-Backbone interact. energy: -0.539
local terms energy: -388.388983
where:
bonds (distance) C4'-P energy: -68.707
bonds (distance) P-C4' energy: -97.127
flat angles C4'-P-C4' energy: -98.632
flat angles P-C4'-P energy: -54.408
tors. eta vs tors. theta energy: -69.515
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: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -843.438908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.438908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.438908 (E_RNA)
where:
Base-Base interactions energy: -506.090
where: short stacking energy: -233.665
Base-Backbone interact. energy: -1.688
local terms energy: -335.661044
where:
bonds (distance) C4'-P energy: -93.101
bonds (distance) P-C4' energy: -89.522
flat angles C4'-P-C4' energy: -92.264
flat angles P-C4'-P energy: -29.378
tors. eta vs tors. theta energy: -31.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -495.178704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.178704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.178704 (E_RNA)
where:
Base-Base interactions energy: -206.912
where: short stacking energy: -127.153
Base-Backbone interact. energy: -4.285
local terms energy: -283.981683
where:
bonds (distance) C4'-P energy: -83.299
bonds (distance) P-C4' energy: -91.191
flat angles C4'-P-C4' energy: -81.120
flat angles P-C4'-P energy: -24.876
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -523.103500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.103500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.103500 (E_RNA)
where:
Base-Base interactions energy: -225.445
where: short stacking energy: -140.826
Base-Backbone interact. energy: -0.792
local terms energy: -296.866473
where:
bonds (distance) C4'-P energy: -84.373
bonds (distance) P-C4' energy: -97.191
flat angles C4'-P-C4' energy: -80.921
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -0.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1616.247801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.247801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.247801 (E_RNA)
where:
Base-Base interactions energy: -1090.089
where: short stacking energy: -480.326
Base-Backbone interact. energy: -2.798
local terms energy: -523.361164
where:
bonds (distance) C4'-P energy: -107.232
bonds (distance) P-C4' energy: -108.706
flat angles C4'-P-C4' energy: -108.029
flat angles P-C4'-P energy: -71.723
tors. eta vs tors. theta energy: -127.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1594.334365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.334365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.334365 (E_RNA)
where:
Base-Base interactions energy: -1063.205
where: short stacking energy: -481.882
Base-Backbone interact. energy: -1.299
local terms energy: -529.830342
where:
bonds (distance) C4'-P energy: -97.918
bonds (distance) P-C4' energy: -98.439
flat angles C4'-P-C4' energy: -113.232
flat angles P-C4'-P energy: -78.158
tors. eta vs tors. theta energy: -142.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1475.553418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.553418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.553418 (E_RNA)
where:
Base-Base interactions energy: -991.566
where: short stacking energy: -454.170
Base-Backbone interact. energy: 8.420
local terms energy: -492.407648
where:
bonds (distance) C4'-P energy: -98.325
bonds (distance) P-C4' energy: -101.443
flat angles C4'-P-C4' energy: -99.888
flat angles P-C4'-P energy: -67.857
tors. eta vs tors. theta energy: -124.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1328.956501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.956501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.956501 (E_RNA)
where:
Base-Base interactions energy: -877.817
where: short stacking energy: -397.416
Base-Backbone interact. energy: 0.067
local terms energy: -451.206555
where:
bonds (distance) C4'-P energy: -87.969
bonds (distance) P-C4' energy: -95.705
flat angles C4'-P-C4' energy: -101.964
flat angles P-C4'-P energy: -60.669
tors. eta vs tors. theta energy: -104.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1297.609791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.609791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.609791 (E_RNA)
where:
Base-Base interactions energy: -835.272
where: short stacking energy: -405.044
Base-Backbone interact. energy: -1.960
local terms energy: -460.377328
where:
bonds (distance) C4'-P energy: -83.342
bonds (distance) P-C4' energy: -99.650
flat angles C4'-P-C4' energy: -92.363
flat angles P-C4'-P energy: -68.566
tors. eta vs tors. theta energy: -116.457
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: 6, replica: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1238.626541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.626541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.626541 (E_RNA)
where:
Base-Base interactions energy: -820.064
where: short stacking energy: -365.068
Base-Backbone interact. energy: -4.046
local terms energy: -414.516013
where:
bonds (distance) C4'-P energy: -73.437
bonds (distance) P-C4' energy: -93.002
flat angles C4'-P-C4' energy: -108.477
flat angles P-C4'-P energy: -57.919
tors. eta vs tors. theta energy: -81.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1017.620549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.620549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.620549 (E_RNA)
where:
Base-Base interactions energy: -626.517
where: short stacking energy: -304.937
Base-Backbone interact. energy: -3.704
local terms energy: -387.399913
where:
bonds (distance) C4'-P energy: -93.755
bonds (distance) P-C4' energy: -87.761
flat angles C4'-P-C4' energy: -80.453
flat angles P-C4'-P energy: -55.581
tors. eta vs tors. theta energy: -69.850
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: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -788.967347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.967347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.967347 (E_RNA)
where:
Base-Base interactions energy: -450.427
where: short stacking energy: -220.083
Base-Backbone interact. energy: -0.665
local terms energy: -337.875522
where:
bonds (distance) C4'-P energy: -78.502
bonds (distance) P-C4' energy: -92.645
flat angles C4'-P-C4' energy: -93.676
flat angles P-C4'-P energy: -46.901
tors. eta vs tors. theta energy: -26.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -514.787265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.787265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.787265 (E_RNA)
where:
Base-Base interactions energy: -217.094
where: short stacking energy: -120.950
Base-Backbone interact. energy: 0.336
local terms energy: -298.029086
where:
bonds (distance) C4'-P energy: -93.291
bonds (distance) P-C4' energy: -89.693
flat angles C4'-P-C4' energy: -75.133
flat angles P-C4'-P energy: -53.055
tors. eta vs tors. theta energy: 13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -508.551407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.551407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.551407 (E_RNA)
where:
Base-Base interactions energy: -229.574
where: short stacking energy: -138.208
Base-Backbone interact. energy: -2.673
local terms energy: -276.304570
where:
bonds (distance) C4'-P energy: -82.549
bonds (distance) P-C4' energy: -75.640
flat angles C4'-P-C4' energy: -70.885
flat angles P-C4'-P energy: -44.233
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1636.420620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.420620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.420620 (E_RNA)
where:
Base-Base interactions energy: -1104.723
where: short stacking energy: -478.027
Base-Backbone interact. energy: -3.656
local terms energy: -528.041917
where:
bonds (distance) C4'-P energy: -103.875
bonds (distance) P-C4' energy: -105.978
flat angles C4'-P-C4' energy: -106.923
flat angles P-C4'-P energy: -82.051
tors. eta vs tors. theta energy: -129.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1572.677316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.677316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.677316 (E_RNA)
where:
Base-Base interactions energy: -1057.344
where: short stacking energy: -479.385
Base-Backbone interact. energy: 0.032
local terms energy: -515.365719
where:
bonds (distance) C4'-P energy: -90.157
bonds (distance) P-C4' energy: -100.471
flat angles C4'-P-C4' energy: -118.761
flat angles P-C4'-P energy: -77.132
tors. eta vs tors. theta energy: -128.845
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: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1472.604688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.604688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.604688 (E_RNA)
where:
Base-Base interactions energy: -965.626
where: short stacking energy: -408.866
Base-Backbone interact. energy: -0.349
local terms energy: -506.629465
where:
bonds (distance) C4'-P energy: -106.633
bonds (distance) P-C4' energy: -106.401
flat angles C4'-P-C4' energy: -105.608
flat angles P-C4'-P energy: -63.060
tors. eta vs tors. theta energy: -124.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1320.911672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.911672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.911672 (E_RNA)
where:
Base-Base interactions energy: -851.402
where: short stacking energy: -352.394
Base-Backbone interact. energy: 1.655
local terms energy: -471.164823
where:
bonds (distance) C4'-P energy: -96.296
bonds (distance) P-C4' energy: -108.740
flat angles C4'-P-C4' energy: -101.290
flat angles P-C4'-P energy: -64.601
tors. eta vs tors. theta energy: -100.238
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: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1317.918898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.918898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.918898 (E_RNA)
where:
Base-Base interactions energy: -871.773
where: short stacking energy: -405.728
Base-Backbone interact. energy: 2.038
local terms energy: -448.183844
where:
bonds (distance) C4'-P energy: -69.745
bonds (distance) P-C4' energy: -106.589
flat angles C4'-P-C4' energy: -88.445
flat angles P-C4'-P energy: -64.546
tors. eta vs tors. theta energy: -118.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1211.359300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.359300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.359300 (E_RNA)
where:
Base-Base interactions energy: -783.188
where: short stacking energy: -344.782
Base-Backbone interact. energy: -2.154
local terms energy: -426.017294
where:
bonds (distance) C4'-P energy: -93.998
bonds (distance) P-C4' energy: -87.681
flat angles C4'-P-C4' energy: -87.108
flat angles P-C4'-P energy: -56.326
tors. eta vs tors. theta energy: -100.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -983.428999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.428999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.428999 (E_RNA)
where:
Base-Base interactions energy: -593.369
where: short stacking energy: -310.335
Base-Backbone interact. energy: 2.026
local terms energy: -392.085778
where:
bonds (distance) C4'-P energy: -99.839
bonds (distance) P-C4' energy: -84.682
flat angles C4'-P-C4' energy: -86.676
flat angles P-C4'-P energy: -43.173
tors. eta vs tors. theta energy: -77.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -794.022490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.022490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.022490 (E_RNA)
where:
Base-Base interactions energy: -474.902
where: short stacking energy: -209.713
Base-Backbone interact. energy: 6.002
local terms energy: -325.123332
where:
bonds (distance) C4'-P energy: -87.438
bonds (distance) P-C4' energy: -97.106
flat angles C4'-P-C4' energy: -71.776
flat angles P-C4'-P energy: -48.583
tors. eta vs tors. theta energy: -20.219
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: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -578.267756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.267756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.267756 (E_RNA)
where:
Base-Base interactions energy: -301.590
where: short stacking energy: -154.407
Base-Backbone interact. energy: 2.547
local terms energy: -279.225077
where:
bonds (distance) C4'-P energy: -83.480
bonds (distance) P-C4' energy: -77.278
flat angles C4'-P-C4' energy: -73.420
flat angles P-C4'-P energy: -53.673
tors. eta vs tors. theta energy: 8.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -510.960666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.960666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.960666 (E_RNA)
where:
Base-Base interactions energy: -232.956
where: short stacking energy: -136.502
Base-Backbone interact. energy: -0.344
local terms energy: -277.660573
where:
bonds (distance) C4'-P energy: -90.124
bonds (distance) P-C4' energy: -94.074
flat angles C4'-P-C4' energy: -59.066
flat angles P-C4'-P energy: -39.245
tors. eta vs tors. theta energy: 4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1649.923908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.923908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.923908 (E_RNA)
where:
Base-Base interactions energy: -1121.335
where: short stacking energy: -497.230
Base-Backbone interact. energy: -1.997
local terms energy: -526.591925
where:
bonds (distance) C4'-P energy: -108.214
bonds (distance) P-C4' energy: -101.681
flat angles C4'-P-C4' energy: -104.854
flat angles P-C4'-P energy: -75.861
tors. eta vs tors. theta energy: -135.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1633.210044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.210044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.210044 (E_RNA)
where:
Base-Base interactions energy: -1103.377
where: short stacking energy: -492.529
Base-Backbone interact. energy: -0.236
local terms energy: -529.596786
where:
bonds (distance) C4'-P energy: -90.741
bonds (distance) P-C4' energy: -99.057
flat angles C4'-P-C4' energy: -124.748
flat angles P-C4'-P energy: -69.714
tors. eta vs tors. theta energy: -145.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1484.681905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.681905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.681905 (E_RNA)
where:
Base-Base interactions energy: -993.840
where: short stacking energy: -421.864
Base-Backbone interact. energy: -1.400
local terms energy: -489.441725
where:
bonds (distance) C4'-P energy: -102.786
bonds (distance) P-C4' energy: -96.631
flat angles C4'-P-C4' energy: -103.698
flat angles P-C4'-P energy: -72.538
tors. eta vs tors. theta energy: -113.789
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: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1304.630424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.630424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.630424 (E_RNA)
where:
Base-Base interactions energy: -873.523
where: short stacking energy: -415.543
Base-Backbone interact. energy: -0.477
local terms energy: -430.630129
where:
bonds (distance) C4'-P energy: -85.945
bonds (distance) P-C4' energy: -91.358
flat angles C4'-P-C4' energy: -97.678
flat angles P-C4'-P energy: -61.083
tors. eta vs tors. theta energy: -94.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1288.138355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.138355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.138355 (E_RNA)
where:
Base-Base interactions energy: -877.709
where: short stacking energy: -396.779
Base-Backbone interact. energy: -2.858
local terms energy: -407.571881
where:
bonds (distance) C4'-P energy: -85.491
bonds (distance) P-C4' energy: -59.036
flat angles C4'-P-C4' energy: -104.452
flat angles P-C4'-P energy: -63.046
tors. eta vs tors. theta energy: -95.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1232.812293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.812293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.812293 (E_RNA)
where:
Base-Base interactions energy: -811.583
where: short stacking energy: -382.682
Base-Backbone interact. energy: -1.451
local terms energy: -419.777947
where:
bonds (distance) C4'-P energy: -88.575
bonds (distance) P-C4' energy: -82.701
flat angles C4'-P-C4' energy: -93.038
flat angles P-C4'-P energy: -53.807
tors. eta vs tors. theta energy: -101.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -884.633874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.633874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.633874 (E_RNA)
where:
Base-Base interactions energy: -543.187
where: short stacking energy: -275.747
Base-Backbone interact. energy: -2.646
local terms energy: -338.800448
where:
bonds (distance) C4'-P energy: -87.444
bonds (distance) P-C4' energy: -72.503
flat angles C4'-P-C4' energy: -89.872
flat angles P-C4'-P energy: -53.673
tors. eta vs tors. theta energy: -35.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -766.063112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.063112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.063112 (E_RNA)
where:
Base-Base interactions energy: -445.139
where: short stacking energy: -214.838
Base-Backbone interact. energy: 0.596
local terms energy: -321.519738
where:
bonds (distance) C4'-P energy: -78.490
bonds (distance) P-C4' energy: -84.326
flat angles C4'-P-C4' energy: -81.002
flat angles P-C4'-P energy: -50.323
tors. eta vs tors. theta energy: -27.378
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: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -565.610117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.610117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.610117 (E_RNA)
where:
Base-Base interactions energy: -284.438
where: short stacking energy: -164.539
Base-Backbone interact. energy: -5.393
local terms energy: -275.779206
where:
bonds (distance) C4'-P energy: -62.773
bonds (distance) P-C4' energy: -88.843
flat angles C4'-P-C4' energy: -83.017
flat angles P-C4'-P energy: -32.092
tors. eta vs tors. theta energy: -9.055
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: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -519.783860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.783860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.783860 (E_RNA)
where:
Base-Base interactions energy: -276.053
where: short stacking energy: -151.852
Base-Backbone interact. energy: -2.537
local terms energy: -241.193438
where:
bonds (distance) C4'-P energy: -63.466
bonds (distance) P-C4' energy: -78.869
flat angles C4'-P-C4' energy: -64.474
flat angles P-C4'-P energy: -30.878
tors. eta vs tors. theta energy: -3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1662.378718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.378718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.378718 (E_RNA)
where:
Base-Base interactions energy: -1129.469
where: short stacking energy: -494.465
Base-Backbone interact. energy: -1.178
local terms energy: -531.731380
where:
bonds (distance) C4'-P energy: -91.691
bonds (distance) P-C4' energy: -110.341
flat angles C4'-P-C4' energy: -119.309
flat angles P-C4'-P energy: -76.875
tors. eta vs tors. theta energy: -133.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1620.744895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.744895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.744895 (E_RNA)
where:
Base-Base interactions energy: -1088.860
where: short stacking energy: -475.086
Base-Backbone interact. energy: -1.849
local terms energy: -530.036101
where:
bonds (distance) C4'-P energy: -89.911
bonds (distance) P-C4' energy: -104.761
flat angles C4'-P-C4' energy: -111.585
flat angles P-C4'-P energy: -78.692
tors. eta vs tors. theta energy: -145.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1480.233273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.233273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.233273 (E_RNA)
where:
Base-Base interactions energy: -997.890
where: short stacking energy: -430.114
Base-Backbone interact. energy: 1.001
local terms energy: -483.344294
where:
bonds (distance) C4'-P energy: -90.020
bonds (distance) P-C4' energy: -101.282
flat angles C4'-P-C4' energy: -107.875
flat angles P-C4'-P energy: -65.557
tors. eta vs tors. theta energy: -118.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1288.046094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.046094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.046094 (E_RNA)
where:
Base-Base interactions energy: -831.502
where: short stacking energy: -373.280
Base-Backbone interact. energy: 0.502
local terms energy: -457.045784
where:
bonds (distance) C4'-P energy: -94.160
bonds (distance) P-C4' energy: -93.263
flat angles C4'-P-C4' energy: -108.969
flat angles P-C4'-P energy: -68.593
tors. eta vs tors. theta energy: -92.062
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: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1280.130419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.130419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.130419 (E_RNA)
where:
Base-Base interactions energy: -840.506
where: short stacking energy: -386.544
Base-Backbone interact. energy: -1.077
local terms energy: -438.546983
where:
bonds (distance) C4'-P energy: -98.202
bonds (distance) P-C4' energy: -100.363
flat angles C4'-P-C4' energy: -79.369
flat angles P-C4'-P energy: -59.454
tors. eta vs tors. theta energy: -101.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1218.726051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.726051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.726051 (E_RNA)
where:
Base-Base interactions energy: -838.085
where: short stacking energy: -376.860
Base-Backbone interact. energy: 1.487
local terms energy: -382.128428
where:
bonds (distance) C4'-P energy: -66.742
bonds (distance) P-C4' energy: -83.162
flat angles C4'-P-C4' energy: -97.926
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -96.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -873.433543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.433543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.433543 (E_RNA)
where:
Base-Base interactions energy: -489.418
where: short stacking energy: -232.082
Base-Backbone interact. energy: -0.904
local terms energy: -383.110729
where:
bonds (distance) C4'-P energy: -90.935
bonds (distance) P-C4' energy: -104.715
flat angles C4'-P-C4' energy: -85.003
flat angles P-C4'-P energy: -65.006
tors. eta vs tors. theta energy: -37.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -705.228935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.228935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.228935 (E_RNA)
where:
Base-Base interactions energy: -391.674
where: short stacking energy: -216.404
Base-Backbone interact. energy: 4.266
local terms energy: -317.820770
where:
bonds (distance) C4'-P energy: -83.522
bonds (distance) P-C4' energy: -96.348
flat angles C4'-P-C4' energy: -72.165
flat angles P-C4'-P energy: -49.279
tors. eta vs tors. theta energy: -16.507
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: 9
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -590.072659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.072659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.072659 (E_RNA)
where:
Base-Base interactions energy: -280.095
where: short stacking energy: -150.364
Base-Backbone interact. energy: -0.709
local terms energy: -309.268815
where:
bonds (distance) C4'-P energy: -81.574
bonds (distance) P-C4' energy: -95.874
flat angles C4'-P-C4' energy: -80.019
flat angles P-C4'-P energy: -52.289
tors. eta vs tors. theta energy: 0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -503.998254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.998254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.998254 (E_RNA)
where:
Base-Base interactions energy: -228.891
where: short stacking energy: -141.685
Base-Backbone interact. energy: -0.260
local terms energy: -274.847432
where:
bonds (distance) C4'-P energy: -64.696
bonds (distance) P-C4' energy: -88.011
flat angles C4'-P-C4' energy: -64.377
flat angles P-C4'-P energy: -57.447
tors. eta vs tors. theta energy: -0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1646.837371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.837371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.837371 (E_RNA)
where:
Base-Base interactions energy: -1119.877
where: short stacking energy: -490.539
Base-Backbone interact. energy: -2.893
local terms energy: -524.066634
where:
bonds (distance) C4'-P energy: -100.506
bonds (distance) P-C4' energy: -101.740
flat angles C4'-P-C4' energy: -107.655
flat angles P-C4'-P energy: -72.319
tors. eta vs tors. theta energy: -141.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1604.620458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.620458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.620458 (E_RNA)
where:
Base-Base interactions energy: -1067.571
where: short stacking energy: -461.560
Base-Backbone interact. energy: -2.093
local terms energy: -534.957039
where:
bonds (distance) C4'-P energy: -100.037
bonds (distance) P-C4' energy: -106.171
flat angles C4'-P-C4' energy: -103.600
flat angles P-C4'-P energy: -79.583
tors. eta vs tors. theta energy: -145.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1491.159737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.159737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.159737 (E_RNA)
where:
Base-Base interactions energy: -997.061
where: short stacking energy: -428.728
Base-Backbone interact. energy: -2.420
local terms energy: -491.678641
where:
bonds (distance) C4'-P energy: -102.240
bonds (distance) P-C4' energy: -87.919
flat angles C4'-P-C4' energy: -108.726
flat angles P-C4'-P energy: -61.892
tors. eta vs tors. theta energy: -130.901
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: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1352.991636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.991636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.991636 (E_RNA)
where:
Base-Base interactions energy: -875.064
where: short stacking energy: -408.694
Base-Backbone interact. energy: -1.349
local terms energy: -476.578678
where:
bonds (distance) C4'-P energy: -85.920
bonds (distance) P-C4' energy: -97.685
flat angles C4'-P-C4' energy: -108.836
flat angles P-C4'-P energy: -63.220
tors. eta vs tors. theta energy: -120.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1247.630492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.630492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.630492 (E_RNA)
where:
Base-Base interactions energy: -801.109
where: short stacking energy: -385.642
Base-Backbone interact. energy: 0.156
local terms energy: -446.677686
where:
bonds (distance) C4'-P energy: -95.642
bonds (distance) P-C4' energy: -88.510
flat angles C4'-P-C4' energy: -90.460
flat angles P-C4'-P energy: -68.117
tors. eta vs tors. theta energy: -103.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1232.681622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.681622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.681622 (E_RNA)
where:
Base-Base interactions energy: -794.668
where: short stacking energy: -360.754
Base-Backbone interact. energy: -0.794
local terms energy: -437.220503
where:
bonds (distance) C4'-P energy: -79.937
bonds (distance) P-C4' energy: -104.370
flat angles C4'-P-C4' energy: -102.030
flat angles P-C4'-P energy: -60.283
tors. eta vs tors. theta energy: -90.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -851.098916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.098916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.098916 (E_RNA)
where:
Base-Base interactions energy: -519.970
where: short stacking energy: -261.584
Base-Backbone interact. energy: 4.362
local terms energy: -335.491390
where:
bonds (distance) C4'-P energy: -64.945
bonds (distance) P-C4' energy: -89.062
flat angles C4'-P-C4' energy: -88.992
flat angles P-C4'-P energy: -53.302
tors. eta vs tors. theta energy: -39.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -744.237626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.237626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.237626 (E_RNA)
where:
Base-Base interactions energy: -388.108
where: short stacking energy: -210.090
Base-Backbone interact. energy: 0.853
local terms energy: -356.983013
where:
bonds (distance) C4'-P energy: -78.649
bonds (distance) P-C4' energy: -96.011
flat angles C4'-P-C4' energy: -93.667
flat angles P-C4'-P energy: -53.058
tors. eta vs tors. theta energy: -35.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -606.879219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.879219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.879219 (E_RNA)
where:
Base-Base interactions energy: -306.274
where: short stacking energy: -179.454
Base-Backbone interact. energy: 1.432
local terms energy: -302.036804
where:
bonds (distance) C4'-P energy: -93.016
bonds (distance) P-C4' energy: -90.632
flat angles C4'-P-C4' energy: -58.245
flat angles P-C4'-P energy: -45.052
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -451.442050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.442050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.442050 (E_RNA)
where:
Base-Base interactions energy: -201.533
where: short stacking energy: -133.784
Base-Backbone interact. energy: 0.786
local terms energy: -250.695298
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -80.190
flat angles C4'-P-C4' energy: -72.237
flat angles P-C4'-P energy: -40.619
tors. eta vs tors. theta energy: 12.443
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: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1679.406001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.406001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.406001 (E_RNA)
where:
Base-Base interactions energy: -1140.068
where: short stacking energy: -506.832
Base-Backbone interact. energy: -1.022
local terms energy: -538.316434
where:
bonds (distance) C4'-P energy: -105.738
bonds (distance) P-C4' energy: -108.747
flat angles C4'-P-C4' energy: -111.277
flat angles P-C4'-P energy: -72.947
tors. eta vs tors. theta energy: -139.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1611.324033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.324033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.324033 (E_RNA)
where:
Base-Base interactions energy: -1065.890
where: short stacking energy: -482.273
Base-Backbone interact. energy: -2.018
local terms energy: -543.416595
where:
bonds (distance) C4'-P energy: -112.387
bonds (distance) P-C4' energy: -93.429
flat angles C4'-P-C4' energy: -111.381
flat angles P-C4'-P energy: -79.507
tors. eta vs tors. theta energy: -146.713
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: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1519.496869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.496869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.496869 (E_RNA)
where:
Base-Base interactions energy: -1015.558
where: short stacking energy: -436.472
Base-Backbone interact. energy: -3.485
local terms energy: -500.453554
where:
bonds (distance) C4'-P energy: -95.089
bonds (distance) P-C4' energy: -112.488
flat angles C4'-P-C4' energy: -105.705
flat angles P-C4'-P energy: -67.015
tors. eta vs tors. theta energy: -120.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1315.577612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.577612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.577612 (E_RNA)
where:
Base-Base interactions energy: -864.280
where: short stacking energy: -401.394
Base-Backbone interact. energy: -1.118
local terms energy: -450.180007
where:
bonds (distance) C4'-P energy: -98.090
bonds (distance) P-C4' energy: -82.564
flat angles C4'-P-C4' energy: -101.980
flat angles P-C4'-P energy: -60.365
tors. eta vs tors. theta energy: -107.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1272.967231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.967231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.967231 (E_RNA)
where:
Base-Base interactions energy: -820.369
where: short stacking energy: -361.299
Base-Backbone interact. energy: -0.433
local terms energy: -452.165084
where:
bonds (distance) C4'-P energy: -91.661
bonds (distance) P-C4' energy: -90.493
flat angles C4'-P-C4' energy: -100.816
flat angles P-C4'-P energy: -70.008
tors. eta vs tors. theta energy: -99.187
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: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1187.836962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.836962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.836962 (E_RNA)
where:
Base-Base interactions energy: -770.708
where: short stacking energy: -337.656
Base-Backbone interact. energy: -1.999
local terms energy: -415.130077
where:
bonds (distance) C4'-P energy: -92.635
bonds (distance) P-C4' energy: -94.381
flat angles C4'-P-C4' energy: -94.934
flat angles P-C4'-P energy: -46.145
tors. eta vs tors. theta energy: -87.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -960.060053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.060053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.060053 (E_RNA)
where:
Base-Base interactions energy: -601.005
where: short stacking energy: -271.477
Base-Backbone interact. energy: 7.356
local terms energy: -366.411559
where:
bonds (distance) C4'-P energy: -88.753
bonds (distance) P-C4' energy: -106.622
flat angles C4'-P-C4' energy: -82.200
flat angles P-C4'-P energy: -47.619
tors. eta vs tors. theta energy: -41.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -751.481681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.481681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.481681 (E_RNA)
where:
Base-Base interactions energy: -444.474
where: short stacking energy: -234.154
Base-Backbone interact. energy: -3.551
local terms energy: -303.456911
where:
bonds (distance) C4'-P energy: -79.066
bonds (distance) P-C4' energy: -90.963
flat angles C4'-P-C4' energy: -66.933
flat angles P-C4'-P energy: -44.123
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -564.476111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.476111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.476111 (E_RNA)
where:
Base-Base interactions energy: -257.102
where: short stacking energy: -161.323
Base-Backbone interact. energy: 0.810
local terms energy: -308.183916
where:
bonds (distance) C4'-P energy: -66.251
bonds (distance) P-C4' energy: -99.772
flat angles C4'-P-C4' energy: -89.745
flat angles P-C4'-P energy: -48.827
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -481.572058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.572058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.572058 (E_RNA)
where:
Base-Base interactions energy: -219.329
where: short stacking energy: -128.312
Base-Backbone interact. energy: 6.105
local terms energy: -268.347538
where:
bonds (distance) C4'-P energy: -77.420
bonds (distance) P-C4' energy: -84.218
flat angles C4'-P-C4' energy: -83.752
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: 4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1677.533286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.533286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.533286 (E_RNA)
where:
Base-Base interactions energy: -1143.484
where: short stacking energy: -493.040
Base-Backbone interact. energy: 0.603
local terms energy: -534.651712
where:
bonds (distance) C4'-P energy: -93.099
bonds (distance) P-C4' energy: -105.576
flat angles C4'-P-C4' energy: -116.976
flat angles P-C4'-P energy: -75.174
tors. eta vs tors. theta energy: -143.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1601.969562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.969562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.969562 (E_RNA)
where:
Base-Base interactions energy: -1063.541
where: short stacking energy: -474.151
Base-Backbone interact. energy: -2.429
local terms energy: -535.999354
where:
bonds (distance) C4'-P energy: -98.405
bonds (distance) P-C4' energy: -93.736
flat angles C4'-P-C4' energy: -112.680
flat angles P-C4'-P energy: -87.264
tors. eta vs tors. theta energy: -143.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1523.028782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.028782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.028782 (E_RNA)
where:
Base-Base interactions energy: -1021.930
where: short stacking energy: -457.129
Base-Backbone interact. energy: -2.659
local terms energy: -498.439934
where:
bonds (distance) C4'-P energy: -87.743
bonds (distance) P-C4' energy: -104.392
flat angles C4'-P-C4' energy: -102.360
flat angles P-C4'-P energy: -69.974
tors. eta vs tors. theta energy: -133.971
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: 4, replica: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1339.815770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.815770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.815770 (E_RNA)
where:
Base-Base interactions energy: -870.051
where: short stacking energy: -400.597
Base-Backbone interact. energy: -0.344
local terms energy: -469.420379
where:
bonds (distance) C4'-P energy: -95.502
bonds (distance) P-C4' energy: -97.004
flat angles C4'-P-C4' energy: -97.189
flat angles P-C4'-P energy: -63.812
tors. eta vs tors. theta energy: -115.913
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: 8
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1266.952872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.952872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.952872 (E_RNA)
where:
Base-Base interactions energy: -819.821
where: short stacking energy: -367.298
Base-Backbone interact. energy: 1.960
local terms energy: -449.091782
where:
bonds (distance) C4'-P energy: -102.243
bonds (distance) P-C4' energy: -90.404
flat angles C4'-P-C4' energy: -95.720
flat angles P-C4'-P energy: -70.168
tors. eta vs tors. theta energy: -90.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1267.392522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.392522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.392522 (E_RNA)
where:
Base-Base interactions energy: -819.330
where: short stacking energy: -390.720
Base-Backbone interact. energy: 1.221
local terms energy: -449.284004
where:
bonds (distance) C4'-P energy: -97.618
bonds (distance) P-C4' energy: -81.139
flat angles C4'-P-C4' energy: -93.852
flat angles P-C4'-P energy: -68.539
tors. eta vs tors. theta energy: -108.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -930.307826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.307826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.307826 (E_RNA)
where:
Base-Base interactions energy: -585.232
where: short stacking energy: -271.464
Base-Backbone interact. energy: -1.563
local terms energy: -343.513113
where:
bonds (distance) C4'-P energy: -83.509
bonds (distance) P-C4' energy: -75.289
flat angles C4'-P-C4' energy: -83.392
flat angles P-C4'-P energy: -52.514
tors. eta vs tors. theta energy: -48.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -716.273327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.273327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.273327 (E_RNA)
where:
Base-Base interactions energy: -383.453
where: short stacking energy: -198.905
Base-Backbone interact. energy: -1.262
local terms energy: -331.558048
where:
bonds (distance) C4'-P energy: -88.816
bonds (distance) P-C4' energy: -81.302
flat angles C4'-P-C4' energy: -77.340
flat angles P-C4'-P energy: -62.879
tors. eta vs tors. theta energy: -21.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -604.876736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.876736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.876736 (E_RNA)
where:
Base-Base interactions energy: -325.161
where: short stacking energy: -179.527
Base-Backbone interact. energy: 1.626
local terms energy: -281.341040
where:
bonds (distance) C4'-P energy: -77.512
bonds (distance) P-C4' energy: -98.105
flat angles C4'-P-C4' energy: -68.309
flat angles P-C4'-P energy: -40.462
tors. eta vs tors. theta energy: 3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -438.528695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.528695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.528695 (E_RNA)
where:
Base-Base interactions energy: -154.938
where: short stacking energy: -113.327
Base-Backbone interact. energy: 0.532
local terms energy: -284.122384
where:
bonds (distance) C4'-P energy: -73.636
bonds (distance) P-C4' energy: -81.725
flat angles C4'-P-C4' energy: -76.943
flat angles P-C4'-P energy: -55.668
tors. eta vs tors. theta energy: 3.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1652.305400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.305400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.305400 (E_RNA)
where:
Base-Base interactions energy: -1140.504
where: short stacking energy: -509.773
Base-Backbone interact. energy: -0.180
local terms energy: -511.620943
where:
bonds (distance) C4'-P energy: -96.468
bonds (distance) P-C4' energy: -102.523
flat angles C4'-P-C4' energy: -107.030
flat angles P-C4'-P energy: -67.107
tors. eta vs tors. theta energy: -138.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1601.318314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.318314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.318314 (E_RNA)
where:
Base-Base interactions energy: -1075.005
where: short stacking energy: -463.360
Base-Backbone interact. energy: -1.634
local terms energy: -524.679595
where:
bonds (distance) C4'-P energy: -91.071
bonds (distance) P-C4' energy: -106.689
flat angles C4'-P-C4' energy: -110.011
flat angles P-C4'-P energy: -85.100
tors. eta vs tors. theta energy: -131.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1491.396252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.396252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.396252 (E_RNA)
where:
Base-Base interactions energy: -1001.979
where: short stacking energy: -443.205
Base-Backbone interact. energy: -1.970
local terms energy: -487.447596
where:
bonds (distance) C4'-P energy: -101.737
bonds (distance) P-C4' energy: -85.262
flat angles C4'-P-C4' energy: -110.788
flat angles P-C4'-P energy: -69.025
tors. eta vs tors. theta energy: -120.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1339.373593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.373593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.373593 (E_RNA)
where:
Base-Base interactions energy: -873.961
where: short stacking energy: -397.933
Base-Backbone interact. energy: 1.205
local terms energy: -466.618006
where:
bonds (distance) C4'-P energy: -75.660
bonds (distance) P-C4' energy: -101.957
flat angles C4'-P-C4' energy: -97.702
flat angles P-C4'-P energy: -73.255
tors. eta vs tors. theta energy: -118.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1311.931858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.931858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.931858 (E_RNA)
where:
Base-Base interactions energy: -827.518
where: short stacking energy: -398.108
Base-Backbone interact. energy: 0.187
local terms energy: -484.601347
where:
bonds (distance) C4'-P energy: -103.700
bonds (distance) P-C4' energy: -101.565
flat angles C4'-P-C4' energy: -107.002
flat angles P-C4'-P energy: -64.836
tors. eta vs tors. theta energy: -107.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1194.830917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.830917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.830917 (E_RNA)
where:
Base-Base interactions energy: -758.613
where: short stacking energy: -347.464
Base-Backbone interact. energy: -2.813
local terms energy: -433.405554
where:
bonds (distance) C4'-P energy: -83.880
bonds (distance) P-C4' energy: -111.934
flat angles C4'-P-C4' energy: -98.659
flat angles P-C4'-P energy: -54.179
tors. eta vs tors. theta energy: -84.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -890.676248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.676248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.676248 (E_RNA)
where:
Base-Base interactions energy: -554.060
where: short stacking energy: -282.614
Base-Backbone interact. energy: 0.104
local terms energy: -336.720265
where:
bonds (distance) C4'-P energy: -70.049
bonds (distance) P-C4' energy: -90.497
flat angles C4'-P-C4' energy: -82.358
flat angles P-C4'-P energy: -47.947
tors. eta vs tors. theta energy: -45.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -735.156490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.156490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.156490 (E_RNA)
where:
Base-Base interactions energy: -425.097
where: short stacking energy: -191.752
Base-Backbone interact. energy: -0.987
local terms energy: -309.071782
where:
bonds (distance) C4'-P energy: -77.378
bonds (distance) P-C4' energy: -104.447
flat angles C4'-P-C4' energy: -71.804
flat angles P-C4'-P energy: -40.558
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -612.136855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.136855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.136855 (E_RNA)
where:
Base-Base interactions energy: -329.252
where: short stacking energy: -160.228
Base-Backbone interact. energy: -2.162
local terms energy: -280.722649
where:
bonds (distance) C4'-P energy: -55.629
bonds (distance) P-C4' energy: -96.620
flat angles C4'-P-C4' energy: -79.529
flat angles P-C4'-P energy: -52.163
tors. eta vs tors. theta energy: 3.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -397.818292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.818292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.818292 (E_RNA)
where:
Base-Base interactions energy: -127.671
where: short stacking energy: -102.668
Base-Backbone interact. energy: -2.136
local terms energy: -268.011107
where:
bonds (distance) C4'-P energy: -82.874
bonds (distance) P-C4' energy: -76.131
flat angles C4'-P-C4' energy: -71.776
flat angles P-C4'-P energy: -61.605
tors. eta vs tors. theta energy: 24.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1654.940234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.940234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.940234 (E_RNA)
where:
Base-Base interactions energy: -1120.481
where: short stacking energy: -497.923
Base-Backbone interact. energy: -0.632
local terms energy: -533.827936
where:
bonds (distance) C4'-P energy: -107.459
bonds (distance) P-C4' energy: -97.657
flat angles C4'-P-C4' energy: -115.010
flat angles P-C4'-P energy: -77.781
tors. eta vs tors. theta energy: -135.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1589.524875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.524875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.524875 (E_RNA)
where:
Base-Base interactions energy: -1043.533
where: short stacking energy: -450.566
Base-Backbone interact. energy: 0.314
local terms energy: -546.305157
where:
bonds (distance) C4'-P energy: -105.223
bonds (distance) P-C4' energy: -108.048
flat angles C4'-P-C4' energy: -117.046
flat angles P-C4'-P energy: -81.276
tors. eta vs tors. theta energy: -134.713
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: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1481.250729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.250729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.250729 (E_RNA)
where:
Base-Base interactions energy: -983.617
where: short stacking energy: -449.319
Base-Backbone interact. energy: -0.499
local terms energy: -497.134787
where:
bonds (distance) C4'-P energy: -94.201
bonds (distance) P-C4' energy: -106.498
flat angles C4'-P-C4' energy: -105.026
flat angles P-C4'-P energy: -70.908
tors. eta vs tors. theta energy: -120.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1322.550364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.550364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.550364 (E_RNA)
where:
Base-Base interactions energy: -865.160
where: short stacking energy: -396.944
Base-Backbone interact. energy: -3.932
local terms energy: -453.457699
where:
bonds (distance) C4'-P energy: -93.901
bonds (distance) P-C4' energy: -96.239
flat angles C4'-P-C4' energy: -93.721
flat angles P-C4'-P energy: -59.318
tors. eta vs tors. theta energy: -110.279
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: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1244.227776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.227776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.227776 (E_RNA)
where:
Base-Base interactions energy: -801.799
where: short stacking energy: -386.654
Base-Backbone interact. energy: -1.302
local terms energy: -441.126724
where:
bonds (distance) C4'-P energy: -91.859
bonds (distance) P-C4' energy: -84.992
flat angles C4'-P-C4' energy: -97.928
flat angles P-C4'-P energy: -63.516
tors. eta vs tors. theta energy: -102.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1161.576279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.576279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.576279 (E_RNA)
where:
Base-Base interactions energy: -757.721
where: short stacking energy: -330.960
Base-Backbone interact. energy: -1.146
local terms energy: -402.709772
where:
bonds (distance) C4'-P energy: -97.074
bonds (distance) P-C4' energy: -89.773
flat angles C4'-P-C4' energy: -90.222
flat angles P-C4'-P energy: -49.108
tors. eta vs tors. theta energy: -76.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -957.793007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.793007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.793007 (E_RNA)
where:
Base-Base interactions energy: -565.677
where: short stacking energy: -273.970
Base-Backbone interact. energy: 0.662
local terms energy: -392.778895
where:
bonds (distance) C4'-P energy: -95.395
bonds (distance) P-C4' energy: -105.968
flat angles C4'-P-C4' energy: -88.498
flat angles P-C4'-P energy: -47.742
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: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -727.334304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.334304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.334304 (E_RNA)
where:
Base-Base interactions energy: -387.051
where: short stacking energy: -214.495
Base-Backbone interact. energy: -0.565
local terms energy: -339.718009
where:
bonds (distance) C4'-P energy: -82.285
bonds (distance) P-C4' energy: -95.323
flat angles C4'-P-C4' energy: -81.315
flat angles P-C4'-P energy: -61.672
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -620.301680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.301680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.301680 (E_RNA)
where:
Base-Base interactions energy: -281.491
where: short stacking energy: -160.459
Base-Backbone interact. energy: -0.253
local terms energy: -338.558464
where:
bonds (distance) C4'-P energy: -93.227
bonds (distance) P-C4' energy: -95.226
flat angles C4'-P-C4' energy: -73.631
flat angles P-C4'-P energy: -40.762
tors. eta vs tors. theta energy: -35.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -428.071991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.071991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.071991 (E_RNA)
where:
Base-Base interactions energy: -141.228
where: short stacking energy: -118.950
Base-Backbone interact. energy: 4.844
local terms energy: -291.687856
where:
bonds (distance) C4'-P energy: -90.999
bonds (distance) P-C4' energy: -99.319
flat angles C4'-P-C4' energy: -76.707
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: 19.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1655.880329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.880329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.880329 (E_RNA)
where:
Base-Base interactions energy: -1121.214
where: short stacking energy: -497.699
Base-Backbone interact. energy: -1.146
local terms energy: -533.520059
where:
bonds (distance) C4'-P energy: -96.915
bonds (distance) P-C4' energy: -109.921
flat angles C4'-P-C4' energy: -119.928
flat angles P-C4'-P energy: -63.575
tors. eta vs tors. theta energy: -143.181
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: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1576.139030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.139030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.139030 (E_RNA)
where:
Base-Base interactions energy: -1058.269
where: short stacking energy: -476.420
Base-Backbone interact. energy: 0.807
local terms energy: -518.677141
where:
bonds (distance) C4'-P energy: -95.602
bonds (distance) P-C4' energy: -102.808
flat angles C4'-P-C4' energy: -111.555
flat angles P-C4'-P energy: -77.998
tors. eta vs tors. theta energy: -130.713
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: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1509.141966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.141966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.141966 (E_RNA)
where:
Base-Base interactions energy: -998.572
where: short stacking energy: -461.268
Base-Backbone interact. energy: -3.170
local terms energy: -507.399590
where:
bonds (distance) C4'-P energy: -105.258
bonds (distance) P-C4' energy: -91.429
flat angles C4'-P-C4' energy: -105.862
flat angles P-C4'-P energy: -75.667
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: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1356.399036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.399036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.399036 (E_RNA)
where:
Base-Base interactions energy: -879.163
where: short stacking energy: -415.835
Base-Backbone interact. energy: -0.556
local terms energy: -476.680311
where:
bonds (distance) C4'-P energy: -88.590
bonds (distance) P-C4' energy: -88.102
flat angles C4'-P-C4' energy: -110.216
flat angles P-C4'-P energy: -70.327
tors. eta vs tors. theta energy: -119.445
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: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1231.678413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.678413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.678413 (E_RNA)
where:
Base-Base interactions energy: -787.674
where: short stacking energy: -390.035
Base-Backbone interact. energy: -1.340
local terms energy: -442.664281
where:
bonds (distance) C4'-P energy: -83.080
bonds (distance) P-C4' energy: -89.635
flat angles C4'-P-C4' energy: -107.413
flat angles P-C4'-P energy: -58.115
tors. eta vs tors. theta energy: -104.420
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: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1250.568952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.568952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.568952 (E_RNA)
where:
Base-Base interactions energy: -808.174
where: short stacking energy: -333.020
Base-Backbone interact. energy: -2.573
local terms energy: -439.822073
where:
bonds (distance) C4'-P energy: -93.480
bonds (distance) P-C4' energy: -100.989
flat angles C4'-P-C4' energy: -95.583
flat angles P-C4'-P energy: -65.670
tors. eta vs tors. theta energy: -84.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -988.069557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.069557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.069557 (E_RNA)
where:
Base-Base interactions energy: -623.426
where: short stacking energy: -296.537
Base-Backbone interact. energy: 1.185
local terms energy: -365.828848
where:
bonds (distance) C4'-P energy: -71.591
bonds (distance) P-C4' energy: -87.628
flat angles C4'-P-C4' energy: -78.649
flat angles P-C4'-P energy: -58.150
tors. eta vs tors. theta energy: -69.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -733.722466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.722466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.722466 (E_RNA)
where:
Base-Base interactions energy: -396.423
where: short stacking energy: -200.655
Base-Backbone interact. energy: 4.618
local terms energy: -341.917138
where:
bonds (distance) C4'-P energy: -83.422
bonds (distance) P-C4' energy: -89.254
flat angles C4'-P-C4' energy: -93.995
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: -27.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -625.656255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.656255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.656255 (E_RNA)
where:
Base-Base interactions energy: -316.128
where: short stacking energy: -190.306
Base-Backbone interact. energy: -2.670
local terms energy: -306.857801
where:
bonds (distance) C4'-P energy: -76.758
bonds (distance) P-C4' energy: -93.462
flat angles C4'-P-C4' energy: -89.108
flat angles P-C4'-P energy: -42.796
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -396.549006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.549006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.549006 (E_RNA)
where:
Base-Base interactions energy: -128.994
where: short stacking energy: -104.600
Base-Backbone interact. energy: -1.261
local terms energy: -266.293478
where:
bonds (distance) C4'-P energy: -73.750
bonds (distance) P-C4' energy: -84.326
flat angles C4'-P-C4' energy: -81.239
flat angles P-C4'-P energy: -53.709
tors. eta vs tors. theta energy: 26.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1647.673300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.673300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.673300 (E_RNA)
where:
Base-Base interactions energy: -1119.846
where: short stacking energy: -496.029
Base-Backbone interact. energy: -2.526
local terms energy: -525.301367
where:
bonds (distance) C4'-P energy: -110.571
bonds (distance) P-C4' energy: -96.516
flat angles C4'-P-C4' energy: -110.014
flat angles P-C4'-P energy: -79.037
tors. eta vs tors. theta energy: -129.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1602.454938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.454938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.454938 (E_RNA)
where:
Base-Base interactions energy: -1058.253
where: short stacking energy: -482.800
Base-Backbone interact. energy: -2.511
local terms energy: -541.691472
where:
bonds (distance) C4'-P energy: -107.095
bonds (distance) P-C4' energy: -97.984
flat angles C4'-P-C4' energy: -119.933
flat angles P-C4'-P energy: -71.678
tors. eta vs tors. theta energy: -145.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1479.867024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.867024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.867024 (E_RNA)
where:
Base-Base interactions energy: -988.277
where: short stacking energy: -448.417
Base-Backbone interact. energy: -1.179
local terms energy: -490.410671
where:
bonds (distance) C4'-P energy: -87.890
bonds (distance) P-C4' energy: -103.555
flat angles C4'-P-C4' energy: -106.716
flat angles P-C4'-P energy: -69.357
tors. eta vs tors. theta energy: -122.892
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: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1335.187659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.187659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.187659 (E_RNA)
where:
Base-Base interactions energy: -881.740
where: short stacking energy: -425.351
Base-Backbone interact. energy: -1.185
local terms energy: -452.262949
where:
bonds (distance) C4'-P energy: -91.189
bonds (distance) P-C4' energy: -80.298
flat angles C4'-P-C4' energy: -105.620
flat angles P-C4'-P energy: -57.390
tors. eta vs tors. theta energy: -117.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1270.752803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.752803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.752803 (E_RNA)
where:
Base-Base interactions energy: -792.421
where: short stacking energy: -385.819
Base-Backbone interact. energy: -1.477
local terms energy: -476.854639
where:
bonds (distance) C4'-P energy: -98.501
bonds (distance) P-C4' energy: -98.391
flat angles C4'-P-C4' energy: -108.183
flat angles P-C4'-P energy: -68.895
tors. eta vs tors. theta energy: -102.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1263.152379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.152379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.152379 (E_RNA)
where:
Base-Base interactions energy: -865.270
where: short stacking energy: -385.116
Base-Backbone interact. energy: -1.302
local terms energy: -396.580703
where:
bonds (distance) C4'-P energy: -65.575
bonds (distance) P-C4' energy: -83.731
flat angles C4'-P-C4' energy: -92.196
flat angles P-C4'-P energy: -65.427
tors. eta vs tors. theta energy: -89.652
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: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -904.140168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.140168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.140168 (E_RNA)
where:
Base-Base interactions energy: -537.036
where: short stacking energy: -269.593
Base-Backbone interact. energy: 2.229
local terms energy: -369.333157
where:
bonds (distance) C4'-P energy: -91.859
bonds (distance) P-C4' energy: -75.794
flat angles C4'-P-C4' energy: -99.679
flat angles P-C4'-P energy: -65.057
tors. eta vs tors. theta energy: -36.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -741.287080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.287080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.287080 (E_RNA)
where:
Base-Base interactions energy: -399.542
where: short stacking energy: -188.701
Base-Backbone interact. energy: 1.284
local terms energy: -343.028613
where:
bonds (distance) C4'-P energy: -83.952
bonds (distance) P-C4' energy: -99.711
flat angles C4'-P-C4' energy: -66.921
flat angles P-C4'-P energy: -64.390
tors. eta vs tors. theta energy: -28.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -594.948232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.948232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.948232 (E_RNA)
where:
Base-Base interactions energy: -304.359
where: short stacking energy: -203.311
Base-Backbone interact. energy: 2.325
local terms energy: -292.914637
where:
bonds (distance) C4'-P energy: -69.065
bonds (distance) P-C4' energy: -83.014
flat angles C4'-P-C4' energy: -77.173
flat angles P-C4'-P energy: -53.225
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -383.121176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.121176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.121176 (E_RNA)
where:
Base-Base interactions energy: -140.874
where: short stacking energy: -116.954
Base-Backbone interact. energy: -1.889
local terms energy: -240.358110
where:
bonds (distance) C4'-P energy: -82.843
bonds (distance) P-C4' energy: -87.126
flat angles C4'-P-C4' energy: -59.623
flat angles P-C4'-P energy: -41.536
tors. eta vs tors. theta energy: 30.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1630.549062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.549062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.549062 (E_RNA)
where:
Base-Base interactions energy: -1123.629
where: short stacking energy: -487.158
Base-Backbone interact. energy: -2.751
local terms energy: -504.168368
where:
bonds (distance) C4'-P energy: -88.188
bonds (distance) P-C4' energy: -98.859
flat angles C4'-P-C4' energy: -109.288
flat angles P-C4'-P energy: -72.292
tors. eta vs tors. theta energy: -135.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1537.164539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.164539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.164539 (E_RNA)
where:
Base-Base interactions energy: -1023.475
where: short stacking energy: -455.621
Base-Backbone interact. energy: 3.020
local terms energy: -516.709291
where:
bonds (distance) C4'-P energy: -93.722
bonds (distance) P-C4' energy: -107.204
flat angles C4'-P-C4' energy: -112.831
flat angles P-C4'-P energy: -68.338
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: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1468.372147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.372147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.372147 (E_RNA)
where:
Base-Base interactions energy: -999.807
where: short stacking energy: -454.430
Base-Backbone interact. energy: -0.194
local terms energy: -468.370843
where:
bonds (distance) C4'-P energy: -93.734
bonds (distance) P-C4' energy: -93.275
flat angles C4'-P-C4' energy: -105.418
flat angles P-C4'-P energy: -64.249
tors. eta vs tors. theta energy: -111.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1326.679579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.679579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.679579 (E_RNA)
where:
Base-Base interactions energy: -865.173
where: short stacking energy: -388.712
Base-Backbone interact. energy: -2.405
local terms energy: -459.101043
where:
bonds (distance) C4'-P energy: -92.800
bonds (distance) P-C4' energy: -101.066
flat angles C4'-P-C4' energy: -91.574
flat angles P-C4'-P energy: -66.326
tors. eta vs tors. theta energy: -107.335
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: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1322.482684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.482684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.482684 (E_RNA)
where:
Base-Base interactions energy: -853.189
where: short stacking energy: -359.605
Base-Backbone interact. energy: -1.983
local terms energy: -467.311090
where:
bonds (distance) C4'-P energy: -92.098
bonds (distance) P-C4' energy: -110.904
flat angles C4'-P-C4' energy: -99.795
flat angles P-C4'-P energy: -65.440
tors. eta vs tors. theta energy: -99.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1212.651157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.651157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.651157 (E_RNA)
where:
Base-Base interactions energy: -785.627
where: short stacking energy: -357.843
Base-Backbone interact. energy: -0.907
local terms energy: -426.117127
where:
bonds (distance) C4'-P energy: -68.817
bonds (distance) P-C4' energy: -98.133
flat angles C4'-P-C4' energy: -99.790
flat angles P-C4'-P energy: -62.207
tors. eta vs tors. theta energy: -97.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -893.381504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.381504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.381504 (E_RNA)
where:
Base-Base interactions energy: -512.638
where: short stacking energy: -269.428
Base-Backbone interact. energy: 1.002
local terms energy: -381.745262
where:
bonds (distance) C4'-P energy: -80.003
bonds (distance) P-C4' energy: -100.552
flat angles C4'-P-C4' energy: -87.737
flat angles P-C4'-P energy: -70.439
tors. eta vs tors. theta energy: -43.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -746.001335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.001335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.001335 (E_RNA)
where:
Base-Base interactions energy: -404.457
where: short stacking energy: -207.479
Base-Backbone interact. energy: -2.893
local terms energy: -338.650621
where:
bonds (distance) C4'-P energy: -90.591
bonds (distance) P-C4' energy: -102.003
flat angles C4'-P-C4' energy: -75.876
flat angles P-C4'-P energy: -48.388
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -668.528656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.528656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.528656 (E_RNA)
where:
Base-Base interactions energy: -357.979
where: short stacking energy: -178.388
Base-Backbone interact. energy: -1.861
local terms energy: -308.687953
where:
bonds (distance) C4'-P energy: -93.514
bonds (distance) P-C4' energy: -80.675
flat angles C4'-P-C4' energy: -78.367
flat angles P-C4'-P energy: -42.235
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -415.613688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.613688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.613688 (E_RNA)
where:
Base-Base interactions energy: -138.836
where: short stacking energy: -112.699
Base-Backbone interact. energy: -1.600
local terms energy: -275.178568
where:
bonds (distance) C4'-P energy: -83.903
bonds (distance) P-C4' energy: -93.881
flat angles C4'-P-C4' energy: -70.620
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: 14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1627.044866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.044866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.044866 (E_RNA)
where:
Base-Base interactions energy: -1093.916
where: short stacking energy: -489.129
Base-Backbone interact. energy: -2.831
local terms energy: -530.297969
where:
bonds (distance) C4'-P energy: -107.205
bonds (distance) P-C4' energy: -100.449
flat angles C4'-P-C4' energy: -118.555
flat angles P-C4'-P energy: -69.012
tors. eta vs tors. theta energy: -135.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1583.752112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.752112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.752112 (E_RNA)
where:
Base-Base interactions energy: -1066.158
where: short stacking energy: -462.861
Base-Backbone interact. energy: -3.399
local terms energy: -514.194607
where:
bonds (distance) C4'-P energy: -105.149
bonds (distance) P-C4' energy: -88.576
flat angles C4'-P-C4' energy: -108.630
flat angles P-C4'-P energy: -82.319
tors. eta vs tors. theta energy: -129.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1449.278816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.278816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.278816 (E_RNA)
where:
Base-Base interactions energy: -945.863
where: short stacking energy: -435.254
Base-Backbone interact. energy: -2.630
local terms energy: -500.785915
where:
bonds (distance) C4'-P energy: -96.461
bonds (distance) P-C4' energy: -97.228
flat angles C4'-P-C4' energy: -101.876
flat angles P-C4'-P energy: -85.947
tors. eta vs tors. theta energy: -119.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1418.818400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.818400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.818400 (E_RNA)
where:
Base-Base interactions energy: -954.595
where: short stacking energy: -415.165
Base-Backbone interact. energy: -2.161
local terms energy: -462.062340
where:
bonds (distance) C4'-P energy: -85.056
bonds (distance) P-C4' energy: -97.350
flat angles C4'-P-C4' energy: -107.066
flat angles P-C4'-P energy: -65.407
tors. eta vs tors. theta energy: -107.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1287.964579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.964579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.964579 (E_RNA)
where:
Base-Base interactions energy: -839.901
where: short stacking energy: -385.695
Base-Backbone interact. energy: -0.783
local terms energy: -447.280811
where:
bonds (distance) C4'-P energy: -74.391
bonds (distance) P-C4' energy: -99.871
flat angles C4'-P-C4' energy: -98.557
flat angles P-C4'-P energy: -69.189
tors. eta vs tors. theta energy: -105.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1234.069976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.069976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.069976 (E_RNA)
where:
Base-Base interactions energy: -811.921
where: short stacking energy: -379.029
Base-Backbone interact. energy: -0.083
local terms energy: -422.066110
where:
bonds (distance) C4'-P energy: -77.414
bonds (distance) P-C4' energy: -85.808
flat angles C4'-P-C4' energy: -92.129
flat angles P-C4'-P energy: -71.972
tors. eta vs tors. theta energy: -94.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -972.792579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.792579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.792579 (E_RNA)
where:
Base-Base interactions energy: -577.810
where: short stacking energy: -303.341
Base-Backbone interact. energy: -1.018
local terms energy: -393.965002
where:
bonds (distance) C4'-P energy: -96.348
bonds (distance) P-C4' energy: -81.960
flat angles C4'-P-C4' energy: -91.139
flat angles P-C4'-P energy: -58.930
tors. eta vs tors. theta energy: -65.588
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: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -756.552160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.552160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.552160 (E_RNA)
where:
Base-Base interactions energy: -410.749
where: short stacking energy: -202.140
Base-Backbone interact. energy: 0.959
local terms energy: -346.761757
where:
bonds (distance) C4'-P energy: -85.497
bonds (distance) P-C4' energy: -106.356
flat angles C4'-P-C4' energy: -87.804
flat angles P-C4'-P energy: -34.016
tors. eta vs tors. theta energy: -33.088
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: 9, replica: 2
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -692.562425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.562425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.562425 (E_RNA)
where:
Base-Base interactions energy: -394.526
where: short stacking energy: -199.904
Base-Backbone interact. energy: -0.704
local terms energy: -297.331767
where:
bonds (distance) C4'-P energy: -65.653
bonds (distance) P-C4' energy: -83.200
flat angles C4'-P-C4' energy: -69.212
flat angles P-C4'-P energy: -59.490
tors. eta vs tors. theta energy: -19.778
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: 10, replica: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -396.129556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.129556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.129556 (E_RNA)
where:
Base-Base interactions energy: -134.335
where: short stacking energy: -109.303
Base-Backbone interact. energy: -4.257
local terms energy: -257.537258
where:
bonds (distance) C4'-P energy: -82.534
bonds (distance) P-C4' energy: -83.833
flat angles C4'-P-C4' energy: -69.633
flat angles P-C4'-P energy: -38.914
tors. eta vs tors. theta energy: 17.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1618.678653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.678653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.678653 (E_RNA)
where:
Base-Base interactions energy: -1088.365
where: short stacking energy: -463.389
Base-Backbone interact. energy: 0.720
local terms energy: -531.032830
where:
bonds (distance) C4'-P energy: -94.708
bonds (distance) P-C4' energy: -108.845
flat angles C4'-P-C4' energy: -116.795
flat angles P-C4'-P energy: -74.089
tors. eta vs tors. theta energy: -136.596
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: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1564.867505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.867505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.867505 (E_RNA)
where:
Base-Base interactions energy: -1048.270
where: short stacking energy: -451.433
Base-Backbone interact. energy: 0.390
local terms energy: -516.988095
where:
bonds (distance) C4'-P energy: -101.561
bonds (distance) P-C4' energy: -102.656
flat angles C4'-P-C4' energy: -108.699
flat angles P-C4'-P energy: -74.539
tors. eta vs tors. theta energy: -129.533
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: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1449.427363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.427363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.427363 (E_RNA)
where:
Base-Base interactions energy: -960.306
where: short stacking energy: -436.955
Base-Backbone interact. energy: -1.994
local terms energy: -487.127239
where:
bonds (distance) C4'-P energy: -90.851
bonds (distance) P-C4' energy: -111.425
flat angles C4'-P-C4' energy: -102.525
flat angles P-C4'-P energy: -61.908
tors. eta vs tors. theta energy: -120.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1415.766478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.766478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.766478 (E_RNA)
where:
Base-Base interactions energy: -942.773
where: short stacking energy: -401.690
Base-Backbone interact. energy: 0.253
local terms energy: -473.246644
where:
bonds (distance) C4'-P energy: -97.884
bonds (distance) P-C4' energy: -107.704
flat angles C4'-P-C4' energy: -96.858
flat angles P-C4'-P energy: -75.022
tors. eta vs tors. theta energy: -95.778
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: 5, replica: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1311.978811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.978811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.978811 (E_RNA)
where:
Base-Base interactions energy: -862.973
where: short stacking energy: -382.696
Base-Backbone interact. energy: -0.949
local terms energy: -448.056298
where:
bonds (distance) C4'-P energy: -97.326
bonds (distance) P-C4' energy: -93.820
flat angles C4'-P-C4' energy: -102.261
flat angles P-C4'-P energy: -59.611
tors. eta vs tors. theta energy: -95.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1213.043544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.043544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.043544 (E_RNA)
where:
Base-Base interactions energy: -800.301
where: short stacking energy: -341.891
Base-Backbone interact. energy: 0.706
local terms energy: -413.448257
where:
bonds (distance) C4'-P energy: -106.762
bonds (distance) P-C4' energy: -80.746
flat angles C4'-P-C4' energy: -89.969
flat angles P-C4'-P energy: -61.539
tors. eta vs tors. theta energy: -74.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -921.220545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.220545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.220545 (E_RNA)
where:
Base-Base interactions energy: -546.786
where: short stacking energy: -279.827
Base-Backbone interact. energy: -2.860
local terms energy: -371.575267
where:
bonds (distance) C4'-P energy: -82.037
bonds (distance) P-C4' energy: -85.575
flat angles C4'-P-C4' energy: -97.483
flat angles P-C4'-P energy: -58.891
tors. eta vs tors. theta energy: -47.589
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: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -706.216011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.216011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.216011 (E_RNA)
where:
Base-Base interactions energy: -388.567
where: short stacking energy: -191.975
Base-Backbone interact. energy: 2.163
local terms energy: -319.812459
where:
bonds (distance) C4'-P energy: -95.831
bonds (distance) P-C4' energy: -87.565
flat angles C4'-P-C4' energy: -82.495
flat angles P-C4'-P energy: -44.078
tors. eta vs tors. theta energy: -9.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -708.379214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.379214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.379214 (E_RNA)
where:
Base-Base interactions energy: -375.199
where: short stacking energy: -197.660
Base-Backbone interact. energy: -1.113
local terms energy: -332.067701
where:
bonds (distance) C4'-P energy: -83.296
bonds (distance) P-C4' energy: -98.214
flat angles C4'-P-C4' energy: -86.381
flat angles P-C4'-P energy: -37.128
tors. eta vs tors. theta energy: -27.049
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: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -411.630251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.630251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.630251 (E_RNA)
where:
Base-Base interactions energy: -162.201
where: short stacking energy: -127.508
Base-Backbone interact. energy: 0.712
local terms energy: -250.141741
where:
bonds (distance) C4'-P energy: -82.275
bonds (distance) P-C4' energy: -81.198
flat angles C4'-P-C4' energy: -60.817
flat angles P-C4'-P energy: -38.949
tors. eta vs tors. theta energy: 13.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1645.718295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.718295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.718295 (E_RNA)
where:
Base-Base interactions energy: -1111.518
where: short stacking energy: -499.975
Base-Backbone interact. energy: -2.049
local terms energy: -532.151258
where:
bonds (distance) C4'-P energy: -99.961
bonds (distance) P-C4' energy: -104.794
flat angles C4'-P-C4' energy: -114.591
flat angles P-C4'-P energy: -72.339
tors. eta vs tors. theta energy: -140.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1564.332810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.332810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.332810 (E_RNA)
where:
Base-Base interactions energy: -1051.219
where: short stacking energy: -461.839
Base-Backbone interact. energy: 0.649
local terms energy: -513.763623
where:
bonds (distance) C4'-P energy: -96.203
bonds (distance) P-C4' energy: -102.542
flat angles C4'-P-C4' energy: -114.031
flat angles P-C4'-P energy: -72.942
tors. eta vs tors. theta energy: -128.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1443.599744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.599744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.599744 (E_RNA)
where:
Base-Base interactions energy: -947.297
where: short stacking energy: -442.474
Base-Backbone interact. energy: -2.511
local terms energy: -493.792117
where:
bonds (distance) C4'-P energy: -90.554
bonds (distance) P-C4' energy: -95.389
flat angles C4'-P-C4' energy: -106.294
flat angles P-C4'-P energy: -74.102
tors. eta vs tors. theta energy: -127.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1457.629668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.629668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.629668 (E_RNA)
where:
Base-Base interactions energy: -976.748
where: short stacking energy: -422.844
Base-Backbone interact. energy: -1.072
local terms energy: -479.809048
where:
bonds (distance) C4'-P energy: -98.434
bonds (distance) P-C4' energy: -98.865
flat angles C4'-P-C4' energy: -101.917
flat angles P-C4'-P energy: -69.877
tors. eta vs tors. theta energy: -110.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1316.351855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.351855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.351855 (E_RNA)
where:
Base-Base interactions energy: -868.608
where: short stacking energy: -394.192
Base-Backbone interact. energy: -1.760
local terms energy: -445.983286
where:
bonds (distance) C4'-P energy: -81.406
bonds (distance) P-C4' energy: -87.928
flat angles C4'-P-C4' energy: -105.028
flat angles P-C4'-P energy: -56.766
tors. eta vs tors. theta energy: -114.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1228.937521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.937521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.937521 (E_RNA)
where:
Base-Base interactions energy: -817.750
where: short stacking energy: -387.325
Base-Backbone interact. energy: -1.485
local terms energy: -409.702055
where:
bonds (distance) C4'-P energy: -84.120
bonds (distance) P-C4' energy: -80.208
flat angles C4'-P-C4' energy: -86.522
flat angles P-C4'-P energy: -66.690
tors. eta vs tors. theta energy: -92.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -889.273824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.273824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.273824 (E_RNA)
where:
Base-Base interactions energy: -514.923
where: short stacking energy: -258.021
Base-Backbone interact. energy: -0.803
local terms energy: -373.548194
where:
bonds (distance) C4'-P energy: -95.251
bonds (distance) P-C4' energy: -97.065
flat angles C4'-P-C4' energy: -87.122
flat angles P-C4'-P energy: -58.915
tors. eta vs tors. theta energy: -35.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -692.122397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.122397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.122397 (E_RNA)
where:
Base-Base interactions energy: -400.665
where: short stacking energy: -209.210
Base-Backbone interact. energy: -1.595
local terms energy: -289.862694
where:
bonds (distance) C4'-P energy: -68.221
bonds (distance) P-C4' energy: -101.241
flat angles C4'-P-C4' energy: -77.563
flat angles P-C4'-P energy: -28.788
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -766.207276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.207276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.207276 (E_RNA)
where:
Base-Base interactions energy: -441.817
where: short stacking energy: -224.007
Base-Backbone interact. energy: -1.516
local terms energy: -322.873410
where:
bonds (distance) C4'-P energy: -78.123
bonds (distance) P-C4' energy: -96.345
flat angles C4'-P-C4' energy: -82.718
flat angles P-C4'-P energy: -37.022
tors. eta vs tors. theta energy: -28.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -404.745711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.745711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.745711 (E_RNA)
where:
Base-Base interactions energy: -125.377
where: short stacking energy: -104.921
Base-Backbone interact. energy: -2.526
local terms energy: -276.842838
where:
bonds (distance) C4'-P energy: -98.392
bonds (distance) P-C4' energy: -95.896
flat angles C4'-P-C4' energy: -68.557
flat angles P-C4'-P energy: -32.458
tors. eta vs tors. theta energy: 18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1648.541779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.541779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.541779 (E_RNA)
where:
Base-Base interactions energy: -1134.455
where: short stacking energy: -480.076
Base-Backbone interact. energy: -1.434
local terms energy: -512.652994
where:
bonds (distance) C4'-P energy: -90.290
bonds (distance) P-C4' energy: -91.608
flat angles C4'-P-C4' energy: -113.118
flat angles P-C4'-P energy: -78.895
tors. eta vs tors. theta energy: -138.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1582.127258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.127258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.127258 (E_RNA)
where:
Base-Base interactions energy: -1069.694
where: short stacking energy: -472.899
Base-Backbone interact. energy: 0.506
local terms energy: -512.938904
where:
bonds (distance) C4'-P energy: -107.786
bonds (distance) P-C4' energy: -94.573
flat angles C4'-P-C4' energy: -107.527
flat angles P-C4'-P energy: -75.197
tors. eta vs tors. theta energy: -127.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1543.919405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.919405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.919405 (E_RNA)
where:
Base-Base interactions energy: -1037.375
where: short stacking energy: -451.178
Base-Backbone interact. energy: -4.172
local terms energy: -502.372019
where:
bonds (distance) C4'-P energy: -95.655
bonds (distance) P-C4' energy: -103.148
flat angles C4'-P-C4' energy: -100.344
flat angles P-C4'-P energy: -73.220
tors. eta vs tors. theta energy: -130.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1391.755292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.755292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.755292 (E_RNA)
where:
Base-Base interactions energy: -896.281
where: short stacking energy: -410.581
Base-Backbone interact. energy: 2.534
local terms energy: -498.008285
where:
bonds (distance) C4'-P energy: -114.871
bonds (distance) P-C4' energy: -93.861
flat angles C4'-P-C4' energy: -103.224
flat angles P-C4'-P energy: -72.772
tors. eta vs tors. theta energy: -113.279
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: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1313.518566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.518566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.518566 (E_RNA)
where:
Base-Base interactions energy: -832.107
where: short stacking energy: -392.386
Base-Backbone interact. energy: -3.162
local terms energy: -478.249098
where:
bonds (distance) C4'-P energy: -88.975
bonds (distance) P-C4' energy: -102.394
flat angles C4'-P-C4' energy: -107.339
flat angles P-C4'-P energy: -69.982
tors. eta vs tors. theta energy: -109.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1176.715316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.715316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.715316 (E_RNA)
where:
Base-Base interactions energy: -779.990
where: short stacking energy: -347.958
Base-Backbone interact. energy: -0.960
local terms energy: -395.764897
where:
bonds (distance) C4'-P energy: -82.432
bonds (distance) P-C4' energy: -85.785
flat angles C4'-P-C4' energy: -92.285
flat angles P-C4'-P energy: -60.365
tors. eta vs tors. theta energy: -74.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -911.742211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.742211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.742211 (E_RNA)
where:
Base-Base interactions energy: -541.458
where: short stacking energy: -276.459
Base-Backbone interact. energy: -0.555
local terms energy: -369.729030
where:
bonds (distance) C4'-P energy: -89.407
bonds (distance) P-C4' energy: -82.719
flat angles C4'-P-C4' energy: -87.541
flat angles P-C4'-P energy: -60.679
tors. eta vs tors. theta energy: -49.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -739.560193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.560193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.560193 (E_RNA)
where:
Base-Base interactions energy: -401.856
where: short stacking energy: -209.910
Base-Backbone interact. energy: 0.655
local terms energy: -338.359699
where:
bonds (distance) C4'-P energy: -80.161
bonds (distance) P-C4' energy: -85.332
flat angles C4'-P-C4' energy: -85.177
flat angles P-C4'-P energy: -60.479
tors. eta vs tors. theta energy: -27.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -734.396834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.396834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.396834 (E_RNA)
where:
Base-Base interactions energy: -405.228
where: short stacking energy: -188.815
Base-Backbone interact. energy: 1.779
local terms energy: -330.948363
where:
bonds (distance) C4'-P energy: -89.294
bonds (distance) P-C4' energy: -88.239
flat angles C4'-P-C4' energy: -72.983
flat angles P-C4'-P energy: -58.612
tors. eta vs tors. theta energy: -21.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -419.747864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.747864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.747864 (E_RNA)
where:
Base-Base interactions energy: -153.579
where: short stacking energy: -119.850
Base-Backbone interact. energy: 1.308
local terms energy: -267.476813
where:
bonds (distance) C4'-P energy: -77.730
bonds (distance) P-C4' energy: -82.314
flat angles C4'-P-C4' energy: -64.738
flat angles P-C4'-P energy: -51.852
tors. eta vs tors. theta energy: 9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1675.389713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.389713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.389713 (E_RNA)
where:
Base-Base interactions energy: -1144.052
where: short stacking energy: -496.582
Base-Backbone interact. energy: -2.223
local terms energy: -529.114341
where:
bonds (distance) C4'-P energy: -93.572
bonds (distance) P-C4' energy: -112.426
flat angles C4'-P-C4' energy: -107.696
flat angles P-C4'-P energy: -77.154
tors. eta vs tors. theta energy: -138.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1578.732208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.732208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.732208 (E_RNA)
where:
Base-Base interactions energy: -1057.723
where: short stacking energy: -465.679
Base-Backbone interact. energy: -0.850
local terms energy: -520.158676
where:
bonds (distance) C4'-P energy: -93.743
bonds (distance) P-C4' energy: -103.884
flat angles C4'-P-C4' energy: -105.525
flat angles P-C4'-P energy: -74.783
tors. eta vs tors. theta energy: -142.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1566.096874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.096874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.096874 (E_RNA)
where:
Base-Base interactions energy: -1055.695
where: short stacking energy: -458.216
Base-Backbone interact. energy: -1.552
local terms energy: -508.850405
where:
bonds (distance) C4'-P energy: -93.568
bonds (distance) P-C4' energy: -105.136
flat angles C4'-P-C4' energy: -105.284
flat angles P-C4'-P energy: -65.940
tors. eta vs tors. theta energy: -138.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1373.240077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.240077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.240077 (E_RNA)
where:
Base-Base interactions energy: -919.804
where: short stacking energy: -422.603
Base-Backbone interact. energy: -2.836
local terms energy: -450.600013
where:
bonds (distance) C4'-P energy: -85.759
bonds (distance) P-C4' energy: -97.656
flat angles C4'-P-C4' energy: -99.944
flat angles P-C4'-P energy: -60.240
tors. eta vs tors. theta energy: -107.001
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: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1332.252279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.252279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.252279 (E_RNA)
where:
Base-Base interactions energy: -909.002
where: short stacking energy: -418.645
Base-Backbone interact. energy: -1.453
local terms energy: -421.796848
where:
bonds (distance) C4'-P energy: -83.720
bonds (distance) P-C4' energy: -80.481
flat angles C4'-P-C4' energy: -107.494
flat angles P-C4'-P energy: -43.443
tors. eta vs tors. theta energy: -106.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1174.758315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.758315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.758315 (E_RNA)
where:
Base-Base interactions energy: -749.793
where: short stacking energy: -351.271
Base-Backbone interact. energy: 3.474
local terms energy: -428.439699
where:
bonds (distance) C4'-P energy: -76.924
bonds (distance) P-C4' energy: -90.818
flat angles C4'-P-C4' energy: -99.428
flat angles P-C4'-P energy: -69.528
tors. eta vs tors. theta energy: -91.743
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: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -910.227671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.227671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.227671 (E_RNA)
where:
Base-Base interactions energy: -543.140
where: short stacking energy: -293.169
Base-Backbone interact. energy: -1.747
local terms energy: -365.340833
where:
bonds (distance) C4'-P energy: -82.757
bonds (distance) P-C4' energy: -92.849
flat angles C4'-P-C4' energy: -84.655
flat angles P-C4'-P energy: -50.344
tors. eta vs tors. theta energy: -54.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -801.647155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.647155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.647155 (E_RNA)
where:
Base-Base interactions energy: -460.342
where: short stacking energy: -236.146
Base-Backbone interact. energy: -2.326
local terms energy: -338.978763
where:
bonds (distance) C4'-P energy: -66.763
bonds (distance) P-C4' energy: -103.669
flat angles C4'-P-C4' energy: -80.715
flat angles P-C4'-P energy: -55.548
tors. eta vs tors. theta energy: -32.284
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: 9, replica: 9
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -672.197256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.197256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.197256 (E_RNA)
where:
Base-Base interactions energy: -383.234
where: short stacking energy: -187.336
Base-Backbone interact. energy: -0.105
local terms energy: -288.857976
where:
bonds (distance) C4'-P energy: -64.204
bonds (distance) P-C4' energy: -78.117
flat angles C4'-P-C4' energy: -78.413
flat angles P-C4'-P energy: -53.805
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -437.376796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.376796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.376796 (E_RNA)
where:
Base-Base interactions energy: -145.178
where: short stacking energy: -127.132
Base-Backbone interact. energy: -2.158
local terms energy: -290.040801
where:
bonds (distance) C4'-P energy: -80.162
bonds (distance) P-C4' energy: -82.837
flat angles C4'-P-C4' energy: -80.265
flat angles P-C4'-P energy: -40.815
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1674.357046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.357046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.357046 (E_RNA)
where:
Base-Base interactions energy: -1149.776
where: short stacking energy: -512.328
Base-Backbone interact. energy: -1.075
local terms energy: -523.505958
where:
bonds (distance) C4'-P energy: -117.808
bonds (distance) P-C4' energy: -88.845
flat angles C4'-P-C4' energy: -108.503
flat angles P-C4'-P energy: -64.117
tors. eta vs tors. theta energy: -144.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1557.052793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.052793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.052793 (E_RNA)
where:
Base-Base interactions energy: -1032.644
where: short stacking energy: -451.987
Base-Backbone interact. energy: -1.134
local terms energy: -523.275042
where:
bonds (distance) C4'-P energy: -107.189
bonds (distance) P-C4' energy: -101.766
flat angles C4'-P-C4' energy: -112.172
flat angles P-C4'-P energy: -69.634
tors. eta vs tors. theta energy: -132.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1603.376834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.376834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.376834 (E_RNA)
where:
Base-Base interactions energy: -1088.396
where: short stacking energy: -455.912
Base-Backbone interact. energy: -1.250
local terms energy: -513.730813
where:
bonds (distance) C4'-P energy: -95.373
bonds (distance) P-C4' energy: -99.917
flat angles C4'-P-C4' energy: -107.001
flat angles P-C4'-P energy: -75.705
tors. eta vs tors. theta energy: -135.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1343.477875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.477875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.477875 (E_RNA)
where:
Base-Base interactions energy: -900.397
where: short stacking energy: -428.091
Base-Backbone interact. energy: -1.818
local terms energy: -441.262695
where:
bonds (distance) C4'-P energy: -84.689
bonds (distance) P-C4' energy: -77.802
flat angles C4'-P-C4' energy: -98.624
flat angles P-C4'-P energy: -66.256
tors. eta vs tors. theta energy: -113.892
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: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1330.897224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.897224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.897224 (E_RNA)
where:
Base-Base interactions energy: -859.086
where: short stacking energy: -373.034
Base-Backbone interact. energy: 0.198
local terms energy: -472.009888
where:
bonds (distance) C4'-P energy: -98.063
bonds (distance) P-C4' energy: -111.291
flat angles C4'-P-C4' energy: -94.992
flat angles P-C4'-P energy: -67.591
tors. eta vs tors. theta energy: -100.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1174.745040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.745040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.745040 (E_RNA)
where:
Base-Base interactions energy: -731.266
where: short stacking energy: -350.205
Base-Backbone interact. energy: -0.673
local terms energy: -442.806383
where:
bonds (distance) C4'-P energy: -93.406
bonds (distance) P-C4' energy: -101.047
flat angles C4'-P-C4' energy: -93.804
flat angles P-C4'-P energy: -65.356
tors. eta vs tors. theta energy: -89.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -905.762098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.762098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.762098 (E_RNA)
where:
Base-Base interactions energy: -552.669
where: short stacking energy: -272.425
Base-Backbone interact. energy: -0.645
local terms energy: -352.448494
where:
bonds (distance) C4'-P energy: -80.703
bonds (distance) P-C4' energy: -70.392
flat angles C4'-P-C4' energy: -101.146
flat angles P-C4'-P energy: -50.442
tors. eta vs tors. theta energy: -49.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -745.173298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.173298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.173298 (E_RNA)
where:
Base-Base interactions energy: -417.688
where: short stacking energy: -224.299
Base-Backbone interact. energy: -3.092
local terms energy: -324.392485
where:
bonds (distance) C4'-P energy: -80.362
bonds (distance) P-C4' energy: -89.540
flat angles C4'-P-C4' energy: -74.740
flat angles P-C4'-P energy: -48.540
tors. eta vs tors. theta energy: -31.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -717.845964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.845964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.845964 (E_RNA)
where:
Base-Base interactions energy: -381.467
where: short stacking energy: -206.973
Base-Backbone interact. energy: 6.415
local terms energy: -342.794039
where:
bonds (distance) C4'-P energy: -74.815
bonds (distance) P-C4' energy: -103.098
flat angles C4'-P-C4' energy: -79.466
flat angles P-C4'-P energy: -60.228
tors. eta vs tors. theta energy: -25.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -492.371630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.371630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.371630 (E_RNA)
where:
Base-Base interactions energy: -212.276
where: short stacking energy: -115.928
Base-Backbone interact. energy: 5.996
local terms energy: -286.091548
where:
bonds (distance) C4'-P energy: -85.636
bonds (distance) P-C4' energy: -90.457
flat angles C4'-P-C4' energy: -82.182
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: 7.570
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: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1660.586308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.586308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.586308 (E_RNA)
where:
Base-Base interactions energy: -1112.885
where: short stacking energy: -514.585
Base-Backbone interact. energy: 0.759
local terms energy: -548.460437
where:
bonds (distance) C4'-P energy: -99.381
bonds (distance) P-C4' energy: -105.725
flat angles C4'-P-C4' energy: -107.977
flat angles P-C4'-P energy: -80.622
tors. eta vs tors. theta energy: -154.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1631.974836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.974836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.974836 (E_RNA)
where:
Base-Base interactions energy: -1112.764
where: short stacking energy: -465.745
Base-Backbone interact. energy: 0.747
local terms energy: -519.957824
where:
bonds (distance) C4'-P energy: -99.456
bonds (distance) P-C4' energy: -102.510
flat angles C4'-P-C4' energy: -114.190
flat angles P-C4'-P energy: -68.741
tors. eta vs tors. theta energy: -135.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1506.454748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.454748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.454748 (E_RNA)
where:
Base-Base interactions energy: -1018.694
where: short stacking energy: -449.201
Base-Backbone interact. energy: -2.569
local terms energy: -485.191734
where:
bonds (distance) C4'-P energy: -95.179
bonds (distance) P-C4' energy: -83.096
flat angles C4'-P-C4' energy: -99.546
flat angles P-C4'-P energy: -76.709
tors. eta vs tors. theta energy: -130.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1344.039729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.039729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.039729 (E_RNA)
where:
Base-Base interactions energy: -853.141
where: short stacking energy: -389.451
Base-Backbone interact. energy: -3.172
local terms energy: -487.727044
where:
bonds (distance) C4'-P energy: -103.865
bonds (distance) P-C4' energy: -106.475
flat angles C4'-P-C4' energy: -106.941
flat angles P-C4'-P energy: -62.011
tors. eta vs tors. theta energy: -108.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1321.549812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.549812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.549812 (E_RNA)
where:
Base-Base interactions energy: -883.816
where: short stacking energy: -392.310
Base-Backbone interact. energy: -3.189
local terms energy: -434.544939
where:
bonds (distance) C4'-P energy: -89.427
bonds (distance) P-C4' energy: -91.287
flat angles C4'-P-C4' energy: -93.057
flat angles P-C4'-P energy: -65.402
tors. eta vs tors. theta energy: -95.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1182.149717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.149717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.149717 (E_RNA)
where:
Base-Base interactions energy: -754.321
where: short stacking energy: -359.487
Base-Backbone interact. energy: 1.198
local terms energy: -429.027045
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -91.082
flat angles C4'-P-C4' energy: -98.405
flat angles P-C4'-P energy: -61.234
tors. eta vs tors. theta energy: -90.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -957.644017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.644017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.644017 (E_RNA)
where:
Base-Base interactions energy: -568.971
where: short stacking energy: -284.879
Base-Backbone interact. energy: -0.451
local terms energy: -388.221233
where:
bonds (distance) C4'-P energy: -85.418
bonds (distance) P-C4' energy: -110.534
flat angles C4'-P-C4' energy: -81.259
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: -62.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -781.463709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.463709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.463709 (E_RNA)
where:
Base-Base interactions energy: -437.554
where: short stacking energy: -237.183
Base-Backbone interact. energy: -1.432
local terms energy: -342.477665
where:
bonds (distance) C4'-P energy: -74.935
bonds (distance) P-C4' energy: -82.859
flat angles C4'-P-C4' energy: -85.974
flat angles P-C4'-P energy: -58.094
tors. eta vs tors. theta energy: -40.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -652.007672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.007672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.007672 (E_RNA)
where:
Base-Base interactions energy: -351.110
where: short stacking energy: -192.432
Base-Backbone interact. energy: -1.087
local terms energy: -299.810824
where:
bonds (distance) C4'-P energy: -84.224
bonds (distance) P-C4' energy: -86.211
flat angles C4'-P-C4' energy: -87.796
flat angles P-C4'-P energy: -25.583
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -484.503523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.503523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.503523 (E_RNA)
where:
Base-Base interactions energy: -215.789
where: short stacking energy: -157.776
Base-Backbone interact. energy: -1.595
local terms energy: -267.119107
where:
bonds (distance) C4'-P energy: -75.939
bonds (distance) P-C4' energy: -72.825
flat angles C4'-P-C4' energy: -77.210
flat angles P-C4'-P energy: -38.134
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1663.677644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.677644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.677644 (E_RNA)
where:
Base-Base interactions energy: -1111.228
where: short stacking energy: -492.407
Base-Backbone interact. energy: 0.105
local terms energy: -552.554425
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -110.392
flat angles C4'-P-C4' energy: -114.441
flat angles P-C4'-P energy: -78.418
tors. eta vs tors. theta energy: -141.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1624.341457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.341457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.341457 (E_RNA)
where:
Base-Base interactions energy: -1110.376
where: short stacking energy: -484.499
Base-Backbone interact. energy: -1.268
local terms energy: -512.697463
where:
bonds (distance) C4'-P energy: -94.419
bonds (distance) P-C4' energy: -105.156
flat angles C4'-P-C4' energy: -111.798
flat angles P-C4'-P energy: -67.981
tors. eta vs tors. theta energy: -133.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1512.322779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.322779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.322779 (E_RNA)
where:
Base-Base interactions energy: -1023.180
where: short stacking energy: -459.539
Base-Backbone interact. energy: -3.878
local terms energy: -485.264135
where:
bonds (distance) C4'-P energy: -85.074
bonds (distance) P-C4' energy: -99.353
flat angles C4'-P-C4' energy: -114.278
flat angles P-C4'-P energy: -66.779
tors. eta vs tors. theta energy: -119.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1357.446393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.446393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.446393 (E_RNA)
where:
Base-Base interactions energy: -881.215
where: short stacking energy: -423.870
Base-Backbone interact. energy: 2.362
local terms energy: -478.594016
where:
bonds (distance) C4'-P energy: -99.130
bonds (distance) P-C4' energy: -94.222
flat angles C4'-P-C4' energy: -97.909
flat angles P-C4'-P energy: -72.182
tors. eta vs tors. theta energy: -115.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1264.478004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.478004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.478004 (E_RNA)
where:
Base-Base interactions energy: -811.166
where: short stacking energy: -363.422
Base-Backbone interact. energy: -1.896
local terms energy: -451.415374
where:
bonds (distance) C4'-P energy: -85.966
bonds (distance) P-C4' energy: -110.082
flat angles C4'-P-C4' energy: -100.580
flat angles P-C4'-P energy: -64.702
tors. eta vs tors. theta energy: -90.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1184.813912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.813912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.813912 (E_RNA)
where:
Base-Base interactions energy: -755.203
where: short stacking energy: -364.587
Base-Backbone interact. energy: -0.174
local terms energy: -429.436480
where:
bonds (distance) C4'-P energy: -90.857
bonds (distance) P-C4' energy: -83.268
flat angles C4'-P-C4' energy: -106.787
flat angles P-C4'-P energy: -57.447
tors. eta vs tors. theta energy: -91.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -961.613303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.613303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.613303 (E_RNA)
where:
Base-Base interactions energy: -579.313
where: short stacking energy: -291.130
Base-Backbone interact. energy: -1.905
local terms energy: -380.395605
where:
bonds (distance) C4'-P energy: -75.830
bonds (distance) P-C4' energy: -90.242
flat angles C4'-P-C4' energy: -87.137
flat angles P-C4'-P energy: -59.755
tors. eta vs tors. theta energy: -67.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -812.702278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.702278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.702278 (E_RNA)
where:
Base-Base interactions energy: -477.488
where: short stacking energy: -244.369
Base-Backbone interact. energy: 1.119
local terms energy: -336.333012
where:
bonds (distance) C4'-P energy: -77.307
bonds (distance) P-C4' energy: -86.729
flat angles C4'-P-C4' energy: -79.365
flat angles P-C4'-P energy: -45.247
tors. eta vs tors. theta energy: -47.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -686.261284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.261284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.261284 (E_RNA)
where:
Base-Base interactions energy: -373.622
where: short stacking energy: -187.764
Base-Backbone interact. energy: 4.538
local terms energy: -317.177217
where:
bonds (distance) C4'-P energy: -98.178
bonds (distance) P-C4' energy: -79.592
flat angles C4'-P-C4' energy: -83.062
flat angles P-C4'-P energy: -40.811
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -477.713815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.713815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.713815 (E_RNA)
where:
Base-Base interactions energy: -234.427
where: short stacking energy: -145.445
Base-Backbone interact. energy: 3.894
local terms energy: -247.181645
where:
bonds (distance) C4'-P energy: -66.332
bonds (distance) P-C4' energy: -78.231
flat angles C4'-P-C4' energy: -54.021
flat angles P-C4'-P energy: -52.674
tors. eta vs tors. theta energy: 4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1660.658784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.658784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.658784 (E_RNA)
where:
Base-Base interactions energy: -1099.608
where: short stacking energy: -483.450
Base-Backbone interact. energy: -1.511
local terms energy: -559.539333
where:
bonds (distance) C4'-P energy: -107.318
bonds (distance) P-C4' energy: -112.056
flat angles C4'-P-C4' energy: -123.646
flat angles P-C4'-P energy: -69.954
tors. eta vs tors. theta energy: -146.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1644.340716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.340716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.340716 (E_RNA)
where:
Base-Base interactions energy: -1111.493
where: short stacking energy: -480.570
Base-Backbone interact. energy: -1.036
local terms energy: -531.812313
where:
bonds (distance) C4'-P energy: -103.922
bonds (distance) P-C4' energy: -94.097
flat angles C4'-P-C4' energy: -112.456
flat angles P-C4'-P energy: -84.823
tors. eta vs tors. theta energy: -136.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1477.249581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.249581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.249581 (E_RNA)
where:
Base-Base interactions energy: -1004.452
where: short stacking energy: -413.788
Base-Backbone interact. energy: -1.396
local terms energy: -471.401323
where:
bonds (distance) C4'-P energy: -101.952
bonds (distance) P-C4' energy: -88.722
flat angles C4'-P-C4' energy: -102.039
flat angles P-C4'-P energy: -65.756
tors. eta vs tors. theta energy: -112.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1371.796820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.796820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.796820 (E_RNA)
where:
Base-Base interactions energy: -906.466
where: short stacking energy: -409.534
Base-Backbone interact. energy: -1.054
local terms energy: -464.276442
where:
bonds (distance) C4'-P energy: -91.248
bonds (distance) P-C4' energy: -83.152
flat angles C4'-P-C4' energy: -102.258
flat angles P-C4'-P energy: -74.895
tors. eta vs tors. theta energy: -112.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1312.602199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.602199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.602199 (E_RNA)
where:
Base-Base interactions energy: -858.130
where: short stacking energy: -393.736
Base-Backbone interact. energy: 0.913
local terms energy: -455.385298
where:
bonds (distance) C4'-P energy: -103.052
bonds (distance) P-C4' energy: -84.797
flat angles C4'-P-C4' energy: -116.537
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: -98.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1167.341233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.341233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.341233 (E_RNA)
where:
Base-Base interactions energy: -741.458
where: short stacking energy: -350.662
Base-Backbone interact. energy: 1.695
local terms energy: -427.578582
where:
bonds (distance) C4'-P energy: -92.284
bonds (distance) P-C4' energy: -93.243
flat angles C4'-P-C4' energy: -102.536
flat angles P-C4'-P energy: -50.799
tors. eta vs tors. theta energy: -88.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -932.957238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.957238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.957238 (E_RNA)
where:
Base-Base interactions energy: -539.316
where: short stacking energy: -267.134
Base-Backbone interact. energy: -2.125
local terms energy: -391.516231
where:
bonds (distance) C4'-P energy: -97.926
bonds (distance) P-C4' energy: -110.431
flat angles C4'-P-C4' energy: -88.550
flat angles P-C4'-P energy: -57.439
tors. eta vs tors. theta energy: -37.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -815.990166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.990166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.990166 (E_RNA)
where:
Base-Base interactions energy: -494.333
where: short stacking energy: -231.860
Base-Backbone interact. energy: 0.178
local terms energy: -321.835578
where:
bonds (distance) C4'-P energy: -86.411
bonds (distance) P-C4' energy: -78.002
flat angles C4'-P-C4' energy: -88.520
flat angles P-C4'-P energy: -46.518
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -750.077577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.077577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.077577 (E_RNA)
where:
Base-Base interactions energy: -424.367
where: short stacking energy: -232.531
Base-Backbone interact. energy: -0.657
local terms energy: -325.053764
where:
bonds (distance) C4'-P energy: -81.632
bonds (distance) P-C4' energy: -84.904
flat angles C4'-P-C4' energy: -85.417
flat angles P-C4'-P energy: -38.918
tors. eta vs tors. theta energy: -34.183
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: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -537.207550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.207550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.207550 (E_RNA)
where:
Base-Base interactions energy: -267.315
where: short stacking energy: -157.543
Base-Backbone interact. energy: 2.895
local terms energy: -272.787791
where:
bonds (distance) C4'-P energy: -76.455
bonds (distance) P-C4' energy: -72.167
flat angles C4'-P-C4' energy: -68.552
flat angles P-C4'-P energy: -51.751
tors. eta vs tors. theta energy: -3.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1676.062466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.062466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.062466 (E_RNA)
where:
Base-Base interactions energy: -1098.089
where: short stacking energy: -497.261
Base-Backbone interact. energy: -3.741
local terms energy: -574.231729
where:
bonds (distance) C4'-P energy: -105.862
bonds (distance) P-C4' energy: -108.819
flat angles C4'-P-C4' energy: -121.559
flat angles P-C4'-P energy: -81.163
tors. eta vs tors. theta energy: -156.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1597.185140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.185140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.185140 (E_RNA)
where:
Base-Base interactions energy: -1080.240
where: short stacking energy: -472.511
Base-Backbone interact. energy: -3.999
local terms energy: -512.946319
where:
bonds (distance) C4'-P energy: -91.712
bonds (distance) P-C4' energy: -110.007
flat angles C4'-P-C4' energy: -109.110
flat angles P-C4'-P energy: -70.497
tors. eta vs tors. theta energy: -131.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1510.942069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.942069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.942069 (E_RNA)
where:
Base-Base interactions energy: -1004.138
where: short stacking energy: -460.613
Base-Backbone interact. energy: -2.973
local terms energy: -503.831016
where:
bonds (distance) C4'-P energy: -99.355
bonds (distance) P-C4' energy: -92.297
flat angles C4'-P-C4' energy: -112.186
flat angles P-C4'-P energy: -77.212
tors. eta vs tors. theta energy: -122.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1407.692594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.692594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.692594 (E_RNA)
where:
Base-Base interactions energy: -925.480
where: short stacking energy: -406.785
Base-Backbone interact. energy: 0.281
local terms energy: -482.493629
where:
bonds (distance) C4'-P energy: -100.208
bonds (distance) P-C4' energy: -99.078
flat angles C4'-P-C4' energy: -94.002
flat angles P-C4'-P energy: -67.237
tors. eta vs tors. theta energy: -121.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1275.792932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.792932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.792932 (E_RNA)
where:
Base-Base interactions energy: -830.479
where: short stacking energy: -380.713
Base-Backbone interact. energy: -3.071
local terms energy: -442.242651
where:
bonds (distance) C4'-P energy: -79.417
bonds (distance) P-C4' energy: -100.076
flat angles C4'-P-C4' energy: -98.285
flat angles P-C4'-P energy: -64.863
tors. eta vs tors. theta energy: -99.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1126.310984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.310984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.310984 (E_RNA)
where:
Base-Base interactions energy: -714.620
where: short stacking energy: -330.987
Base-Backbone interact. energy: 0.560
local terms energy: -412.251151
where:
bonds (distance) C4'-P energy: -100.030
bonds (distance) P-C4' energy: -82.662
flat angles C4'-P-C4' energy: -87.399
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -73.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -959.192200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.192200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.192200 (E_RNA)
where:
Base-Base interactions energy: -566.192
where: short stacking energy: -299.063
Base-Backbone interact. energy: 2.416
local terms energy: -395.416572
where:
bonds (distance) C4'-P energy: -83.249
bonds (distance) P-C4' energy: -82.046
flat angles C4'-P-C4' energy: -96.699
flat angles P-C4'-P energy: -51.857
tors. eta vs tors. theta energy: -81.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -853.440953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.440953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.440953 (E_RNA)
where:
Base-Base interactions energy: -516.095
where: short stacking energy: -253.949
Base-Backbone interact. energy: -2.054
local terms energy: -335.292492
where:
bonds (distance) C4'-P energy: -74.944
bonds (distance) P-C4' energy: -83.395
flat angles C4'-P-C4' energy: -78.932
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -34.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -694.491844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.491844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.491844 (E_RNA)
where:
Base-Base interactions energy: -370.338
where: short stacking energy: -187.072
Base-Backbone interact. energy: -0.187
local terms energy: -323.966053
where:
bonds (distance) C4'-P energy: -96.479
bonds (distance) P-C4' energy: -86.420
flat angles C4'-P-C4' energy: -80.259
flat angles P-C4'-P energy: -49.204
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -599.887034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.887034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.887034 (E_RNA)
where:
Base-Base interactions energy: -312.651
where: short stacking energy: -173.676
Base-Backbone interact. energy: 0.842
local terms energy: -288.078062
where:
bonds (distance) C4'-P energy: -83.616
bonds (distance) P-C4' energy: -80.577
flat angles C4'-P-C4' energy: -67.019
flat angles P-C4'-P energy: -47.934
tors. eta vs tors. theta energy: -8.932
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: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1685.667418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.667418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.667418 (E_RNA)
where:
Base-Base interactions energy: -1146.853
where: short stacking energy: -499.794
Base-Backbone interact. energy: -1.763
local terms energy: -537.052074
where:
bonds (distance) C4'-P energy: -90.946
bonds (distance) P-C4' energy: -97.978
flat angles C4'-P-C4' energy: -114.078
flat angles P-C4'-P energy: -87.158
tors. eta vs tors. theta energy: -146.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1669.690663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.690663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.690663 (E_RNA)
where:
Base-Base interactions energy: -1141.945
where: short stacking energy: -490.464
Base-Backbone interact. energy: -1.391
local terms energy: -526.354492
where:
bonds (distance) C4'-P energy: -96.022
bonds (distance) P-C4' energy: -108.920
flat angles C4'-P-C4' energy: -111.569
flat angles P-C4'-P energy: -69.095
tors. eta vs tors. theta energy: -140.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1461.021031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.021031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.021031 (E_RNA)
where:
Base-Base interactions energy: -974.480
where: short stacking energy: -437.823
Base-Backbone interact. energy: -1.016
local terms energy: -485.525016
where:
bonds (distance) C4'-P energy: -104.150
bonds (distance) P-C4' energy: -100.020
flat angles C4'-P-C4' energy: -96.048
flat angles P-C4'-P energy: -63.746
tors. eta vs tors. theta energy: -121.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1423.963573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.963573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.963573 (E_RNA)
where:
Base-Base interactions energy: -927.047
where: short stacking energy: -422.391
Base-Backbone interact. energy: -3.234
local terms energy: -493.682881
where:
bonds (distance) C4'-P energy: -90.578
bonds (distance) P-C4' energy: -105.242
flat angles C4'-P-C4' energy: -108.020
flat angles P-C4'-P energy: -70.558
tors. eta vs tors. theta energy: -119.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1313.756300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.756300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.756300 (E_RNA)
where:
Base-Base interactions energy: -870.439
where: short stacking energy: -383.991
Base-Backbone interact. energy: 1.209
local terms energy: -444.526302
where:
bonds (distance) C4'-P energy: -94.006
bonds (distance) P-C4' energy: -102.136
flat angles C4'-P-C4' energy: -98.561
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -98.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1168.732014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.732014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.732014 (E_RNA)
where:
Base-Base interactions energy: -730.504
where: short stacking energy: -356.202
Base-Backbone interact. energy: -2.476
local terms energy: -435.752378
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -86.822
flat angles C4'-P-C4' energy: -93.341
flat angles P-C4'-P energy: -52.883
tors. eta vs tors. theta energy: -103.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -921.643027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.643027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.643027 (E_RNA)
where:
Base-Base interactions energy: -541.045
where: short stacking energy: -282.871
Base-Backbone interact. energy: -3.110
local terms energy: -377.487696
where:
bonds (distance) C4'-P energy: -88.658
bonds (distance) P-C4' energy: -87.307
flat angles C4'-P-C4' energy: -100.842
flat angles P-C4'-P energy: -53.417
tors. eta vs tors. theta energy: -47.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -883.843405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.843405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.843405 (E_RNA)
where:
Base-Base interactions energy: -538.832
where: short stacking energy: -268.745
Base-Backbone interact. energy: 2.205
local terms energy: -347.217235
where:
bonds (distance) C4'-P energy: -80.624
bonds (distance) P-C4' energy: -78.325
flat angles C4'-P-C4' energy: -86.327
flat angles P-C4'-P energy: -57.327
tors. eta vs tors. theta energy: -44.615
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: 165
Temperature: 1.300000
Total energy: -669.001038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.001038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.001038 (E_RNA)
where:
Base-Base interactions energy: -343.910
where: short stacking energy: -179.835
Base-Backbone interact. energy: 0.197
local terms energy: -325.288311
where:
bonds (distance) C4'-P energy: -79.702
bonds (distance) P-C4' energy: -89.358
flat angles C4'-P-C4' energy: -92.267
flat angles P-C4'-P energy: -53.856
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -586.865909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.865909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.865909 (E_RNA)
where:
Base-Base interactions energy: -275.656
where: short stacking energy: -148.215
Base-Backbone interact. energy: -2.096
local terms energy: -309.113068
where:
bonds (distance) C4'-P energy: -85.869
bonds (distance) P-C4' energy: -83.962
flat angles C4'-P-C4' energy: -68.387
flat angles P-C4'-P energy: -62.330
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1669.323215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.323215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.323215 (E_RNA)
where:
Base-Base interactions energy: -1111.997
where: short stacking energy: -523.205
Base-Backbone interact. energy: -4.855
local terms energy: -552.470597
where:
bonds (distance) C4'-P energy: -111.315
bonds (distance) P-C4' energy: -102.902
flat angles C4'-P-C4' energy: -111.152
flat angles P-C4'-P energy: -79.354
tors. eta vs tors. theta energy: -147.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1630.971380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.971380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.971380 (E_RNA)
where:
Base-Base interactions energy: -1099.016
where: short stacking energy: -482.393
Base-Backbone interact. energy: 1.100
local terms energy: -533.055151
where:
bonds (distance) C4'-P energy: -92.930
bonds (distance) P-C4' energy: -98.506
flat angles C4'-P-C4' energy: -119.041
flat angles P-C4'-P energy: -81.982
tors. eta vs tors. theta energy: -140.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1490.108816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.108816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.108816 (E_RNA)
where:
Base-Base interactions energy: -980.821
where: short stacking energy: -449.072
Base-Backbone interact. energy: -2.292
local terms energy: -506.995888
where:
bonds (distance) C4'-P energy: -88.343
bonds (distance) P-C4' energy: -98.426
flat angles C4'-P-C4' energy: -106.558
flat angles P-C4'-P energy: -75.717
tors. eta vs tors. theta energy: -137.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1409.382238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.382238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.382238 (E_RNA)
where:
Base-Base interactions energy: -923.162
where: short stacking energy: -427.610
Base-Backbone interact. energy: -1.681
local terms energy: -484.538883
where:
bonds (distance) C4'-P energy: -100.311
bonds (distance) P-C4' energy: -96.380
flat angles C4'-P-C4' energy: -92.062
flat angles P-C4'-P energy: -68.650
tors. eta vs tors. theta energy: -127.136
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: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1286.047016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.047016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.047016 (E_RNA)
where:
Base-Base interactions energy: -830.631
where: short stacking energy: -378.797
Base-Backbone interact. energy: -2.295
local terms energy: -453.120656
where:
bonds (distance) C4'-P energy: -87.058
bonds (distance) P-C4' energy: -98.356
flat angles C4'-P-C4' energy: -109.066
flat angles P-C4'-P energy: -70.520
tors. eta vs tors. theta energy: -88.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1116.074859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.074859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.074859 (E_RNA)
where:
Base-Base interactions energy: -702.421
where: short stacking energy: -322.950
Base-Backbone interact. energy: -1.526
local terms energy: -412.127329
where:
bonds (distance) C4'-P energy: -79.396
bonds (distance) P-C4' energy: -91.116
flat angles C4'-P-C4' energy: -96.022
flat angles P-C4'-P energy: -63.135
tors. eta vs tors. theta energy: -82.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -988.667148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.667148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.667148 (E_RNA)
where:
Base-Base interactions energy: -598.537
where: short stacking energy: -306.751
Base-Backbone interact. energy: -0.231
local terms energy: -389.898537
where:
bonds (distance) C4'-P energy: -82.660
bonds (distance) P-C4' energy: -87.350
flat angles C4'-P-C4' energy: -82.603
flat angles P-C4'-P energy: -58.366
tors. eta vs tors. theta energy: -78.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -829.781482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.781482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.781482 (E_RNA)
where:
Base-Base interactions energy: -484.581
where: short stacking energy: -230.558
Base-Backbone interact. energy: 1.293
local terms energy: -346.493659
where:
bonds (distance) C4'-P energy: -78.885
bonds (distance) P-C4' energy: -86.327
flat angles C4'-P-C4' energy: -90.141
flat angles P-C4'-P energy: -57.751
tors. eta vs tors. theta energy: -33.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -690.468306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.468306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.468306 (E_RNA)
where:
Base-Base interactions energy: -350.322
where: short stacking energy: -174.285
Base-Backbone interact. energy: -0.108
local terms energy: -340.038096
where:
bonds (distance) C4'-P energy: -97.659
bonds (distance) P-C4' energy: -83.093
flat angles C4'-P-C4' energy: -76.261
flat angles P-C4'-P energy: -65.017
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -505.361732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.361732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.361732 (E_RNA)
where:
Base-Base interactions energy: -234.988
where: short stacking energy: -132.918
Base-Backbone interact. energy: 0.772
local terms energy: -271.145646
where:
bonds (distance) C4'-P energy: -76.494
bonds (distance) P-C4' energy: -80.112
flat angles C4'-P-C4' energy: -58.287
flat angles P-C4'-P energy: -45.750
tors. eta vs tors. theta energy: -10.504
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: 1, replica: 10
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1668.754204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.754204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.754204 (E_RNA)
where:
Base-Base interactions energy: -1119.155
where: short stacking energy: -510.617
Base-Backbone interact. energy: 1.278
local terms energy: -550.877759
where:
bonds (distance) C4'-P energy: -101.282
bonds (distance) P-C4' energy: -105.300
flat angles C4'-P-C4' energy: -116.059
flat angles P-C4'-P energy: -77.408
tors. eta vs tors. theta energy: -150.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1642.496440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.496440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.496440 (E_RNA)
where:
Base-Base interactions energy: -1113.861
where: short stacking energy: -491.191
Base-Backbone interact. energy: -1.865
local terms energy: -526.770148
where:
bonds (distance) C4'-P energy: -97.355
bonds (distance) P-C4' energy: -114.341
flat angles C4'-P-C4' energy: -115.434
flat angles P-C4'-P energy: -65.304
tors. eta vs tors. theta energy: -134.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1491.039429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.039429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.039429 (E_RNA)
where:
Base-Base interactions energy: -967.823
where: short stacking energy: -461.034
Base-Backbone interact. energy: -1.848
local terms energy: -521.368200
where:
bonds (distance) C4'-P energy: -97.285
bonds (distance) P-C4' energy: -101.540
flat angles C4'-P-C4' energy: -118.354
flat angles P-C4'-P energy: -68.822
tors. eta vs tors. theta energy: -135.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1403.239536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.239536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.239536 (E_RNA)
where:
Base-Base interactions energy: -923.514
where: short stacking energy: -413.546
Base-Backbone interact. energy: -2.740
local terms energy: -476.985925
where:
bonds (distance) C4'-P energy: -82.163
bonds (distance) P-C4' energy: -95.014
flat angles C4'-P-C4' energy: -113.557
flat angles P-C4'-P energy: -66.800
tors. eta vs tors. theta energy: -119.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1279.800706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.800706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.800706 (E_RNA)
where:
Base-Base interactions energy: -834.722
where: short stacking energy: -380.100
Base-Backbone interact. energy: -2.793
local terms energy: -442.285619
where:
bonds (distance) C4'-P energy: -78.630
bonds (distance) P-C4' energy: -97.318
flat angles C4'-P-C4' energy: -106.264
flat angles P-C4'-P energy: -63.258
tors. eta vs tors. theta energy: -96.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1110.763645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.763645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.763645 (E_RNA)
where:
Base-Base interactions energy: -701.664
where: short stacking energy: -320.020
Base-Backbone interact. energy: 1.049
local terms energy: -410.148311
where:
bonds (distance) C4'-P energy: -79.248
bonds (distance) P-C4' energy: -104.381
flat angles C4'-P-C4' energy: -86.173
flat angles P-C4'-P energy: -54.684
tors. eta vs tors. theta energy: -85.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -967.104146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.104146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.104146 (E_RNA)
where:
Base-Base interactions energy: -577.082
where: short stacking energy: -295.066
Base-Backbone interact. energy: -0.938
local terms energy: -389.084569
where:
bonds (distance) C4'-P energy: -70.214
bonds (distance) P-C4' energy: -102.569
flat angles C4'-P-C4' energy: -99.837
flat angles P-C4'-P energy: -52.861
tors. eta vs tors. theta energy: -63.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -808.038985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.038985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.038985 (E_RNA)
where:
Base-Base interactions energy: -493.340
where: short stacking energy: -239.439
Base-Backbone interact. energy: -1.452
local terms energy: -313.246156
where:
bonds (distance) C4'-P energy: -79.162
bonds (distance) P-C4' energy: -87.061
flat angles C4'-P-C4' energy: -64.874
flat angles P-C4'-P energy: -48.659
tors. eta vs tors. theta energy: -33.491
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: 167
Temperature: 1.300000
Total energy: -604.691445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.691445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.691445 (E_RNA)
where:
Base-Base interactions energy: -332.895
where: short stacking energy: -184.813
Base-Backbone interact. energy: 0.033
local terms energy: -271.829170
where:
bonds (distance) C4'-P energy: -58.911
bonds (distance) P-C4' energy: -71.353
flat angles C4'-P-C4' energy: -85.835
flat angles P-C4'-P energy: -49.643
tors. eta vs tors. theta energy: -6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -579.104427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.104427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.104427 (E_RNA)
where:
Base-Base interactions energy: -288.525
where: short stacking energy: -162.041
Base-Backbone interact. energy: -0.330
local terms energy: -290.249409
where:
bonds (distance) C4'-P energy: -78.148
bonds (distance) P-C4' energy: -81.652
flat angles C4'-P-C4' energy: -83.541
flat angles P-C4'-P energy: -37.217
tors. eta vs tors. theta energy: -9.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1688.789813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.789813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.789813 (E_RNA)
where:
Base-Base interactions energy: -1142.260
where: short stacking energy: -522.900
Base-Backbone interact. energy: -1.521
local terms energy: -545.008332
where:
bonds (distance) C4'-P energy: -102.697
bonds (distance) P-C4' energy: -107.661
flat angles C4'-P-C4' energy: -118.155
flat angles P-C4'-P energy: -73.809
tors. eta vs tors. theta energy: -142.687
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: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1647.320160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.320160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.320160 (E_RNA)
where:
Base-Base interactions energy: -1120.533
where: short stacking energy: -475.032
Base-Backbone interact. energy: -0.262
local terms energy: -526.524982
where:
bonds (distance) C4'-P energy: -107.303
bonds (distance) P-C4' energy: -96.823
flat angles C4'-P-C4' energy: -111.833
flat angles P-C4'-P energy: -73.151
tors. eta vs tors. theta energy: -137.416
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: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1489.080986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.080986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.080986 (E_RNA)
where:
Base-Base interactions energy: -992.958
where: short stacking energy: -472.765
Base-Backbone interact. energy: -0.901
local terms energy: -495.221449
where:
bonds (distance) C4'-P energy: -90.506
bonds (distance) P-C4' energy: -96.996
flat angles C4'-P-C4' energy: -115.974
flat angles P-C4'-P energy: -67.723
tors. eta vs tors. theta energy: -124.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1433.023303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.023303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.023303 (E_RNA)
where:
Base-Base interactions energy: -947.783
where: short stacking energy: -430.459
Base-Backbone interact. energy: -1.883
local terms energy: -483.356891
where:
bonds (distance) C4'-P energy: -76.983
bonds (distance) P-C4' energy: -108.628
flat angles C4'-P-C4' energy: -107.516
flat angles P-C4'-P energy: -71.737
tors. eta vs tors. theta energy: -118.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1259.860356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.860356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.860356 (E_RNA)
where:
Base-Base interactions energy: -820.657
where: short stacking energy: -384.728
Base-Backbone interact. energy: -1.901
local terms energy: -437.302241
where:
bonds (distance) C4'-P energy: -78.196
bonds (distance) P-C4' energy: -100.171
flat angles C4'-P-C4' energy: -102.534
flat angles P-C4'-P energy: -60.099
tors. eta vs tors. theta energy: -96.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1122.975574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.975574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.975574 (E_RNA)
where:
Base-Base interactions energy: -723.742
where: short stacking energy: -354.246
Base-Backbone interact. energy: 1.216
local terms energy: -400.449069
where:
bonds (distance) C4'-P energy: -85.709
bonds (distance) P-C4' energy: -82.422
flat angles C4'-P-C4' energy: -92.857
flat angles P-C4'-P energy: -62.286
tors. eta vs tors. theta energy: -77.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -910.849011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.849011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.849011 (E_RNA)
where:
Base-Base interactions energy: -539.715
where: short stacking energy: -250.007
Base-Backbone interact. energy: 0.407
local terms energy: -371.540618
where:
bonds (distance) C4'-P energy: -95.390
bonds (distance) P-C4' energy: -93.471
flat angles C4'-P-C4' energy: -86.727
flat angles P-C4'-P energy: -53.994
tors. eta vs tors. theta energy: -41.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -798.105261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.105261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.105261 (E_RNA)
where:
Base-Base interactions energy: -444.743
where: short stacking energy: -235.208
Base-Backbone interact. energy: -1.662
local terms energy: -351.699719
where:
bonds (distance) C4'-P energy: -77.328
bonds (distance) P-C4' energy: -80.227
flat angles C4'-P-C4' energy: -95.291
flat angles P-C4'-P energy: -52.048
tors. eta vs tors. theta energy: -46.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -618.809148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.809148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.809148 (E_RNA)
where:
Base-Base interactions energy: -319.232
where: short stacking energy: -180.328
Base-Backbone interact. energy: 4.613
local terms energy: -304.190250
where:
bonds (distance) C4'-P energy: -75.263
bonds (distance) P-C4' energy: -100.293
flat angles C4'-P-C4' energy: -81.833
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -562.392765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.392765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.392765 (E_RNA)
where:
Base-Base interactions energy: -272.025
where: short stacking energy: -160.717
Base-Backbone interact. energy: 0.397
local terms energy: -290.764811
where:
bonds (distance) C4'-P energy: -84.438
bonds (distance) P-C4' energy: -85.593
flat angles C4'-P-C4' energy: -71.966
flat angles P-C4'-P energy: -46.337
tors. eta vs tors. theta energy: -2.432
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: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1696.530037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.530037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.530037 (E_RNA)
where:
Base-Base interactions energy: -1134.991
where: short stacking energy: -500.678
Base-Backbone interact. energy: -3.270
local terms energy: -558.269122
where:
bonds (distance) C4'-P energy: -103.561
bonds (distance) P-C4' energy: -111.227
flat angles C4'-P-C4' energy: -123.025
flat angles P-C4'-P energy: -77.692
tors. eta vs tors. theta energy: -142.763
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: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1623.382740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.382740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.382740 (E_RNA)
where:
Base-Base interactions energy: -1105.930
where: short stacking energy: -463.459
Base-Backbone interact. energy: 1.774
local terms energy: -519.227480
where:
bonds (distance) C4'-P energy: -98.488
bonds (distance) P-C4' energy: -107.507
flat angles C4'-P-C4' energy: -113.867
flat angles P-C4'-P energy: -71.305
tors. eta vs tors. theta energy: -128.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1485.255469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.255469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.255469 (E_RNA)
where:
Base-Base interactions energy: -984.907
where: short stacking energy: -443.374
Base-Backbone interact. energy: -2.421
local terms energy: -497.927167
where:
bonds (distance) C4'-P energy: -97.362
bonds (distance) P-C4' energy: -102.767
flat angles C4'-P-C4' energy: -114.841
flat angles P-C4'-P energy: -61.561
tors. eta vs tors. theta energy: -121.396
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: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1446.158586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.158586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.158586 (E_RNA)
where:
Base-Base interactions energy: -943.964
where: short stacking energy: -401.972
Base-Backbone interact. energy: 0.370
local terms energy: -502.564538
where:
bonds (distance) C4'-P energy: -101.655
bonds (distance) P-C4' energy: -108.158
flat angles C4'-P-C4' energy: -107.688
flat angles P-C4'-P energy: -59.407
tors. eta vs tors. theta energy: -125.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1228.228565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.228565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.228565 (E_RNA)
where:
Base-Base interactions energy: -804.704
where: short stacking energy: -350.858
Base-Backbone interact. energy: -2.987
local terms energy: -420.537539
where:
bonds (distance) C4'-P energy: -88.132
bonds (distance) P-C4' energy: -101.505
flat angles C4'-P-C4' energy: -105.772
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: -79.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1132.375963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.375963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.375963 (E_RNA)
where:
Base-Base interactions energy: -733.295
where: short stacking energy: -332.339
Base-Backbone interact. energy: -1.831
local terms energy: -397.250649
where:
bonds (distance) C4'-P energy: -83.233
bonds (distance) P-C4' energy: -79.225
flat angles C4'-P-C4' energy: -98.649
flat angles P-C4'-P energy: -56.652
tors. eta vs tors. theta energy: -79.491
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: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -956.657049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.657049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.657049 (E_RNA)
where:
Base-Base interactions energy: -592.953
where: short stacking energy: -263.484
Base-Backbone interact. energy: -4.277
local terms energy: -359.426478
where:
bonds (distance) C4'-P energy: -83.339
bonds (distance) P-C4' energy: -84.564
flat angles C4'-P-C4' energy: -71.154
flat angles P-C4'-P energy: -71.843
tors. eta vs tors. theta energy: -48.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -734.704201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.704201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.704201 (E_RNA)
where:
Base-Base interactions energy: -399.957
where: short stacking energy: -189.517
Base-Backbone interact. energy: 1.359
local terms energy: -336.106373
where:
bonds (distance) C4'-P energy: -89.618
bonds (distance) P-C4' energy: -83.259
flat angles C4'-P-C4' energy: -86.953
flat angles P-C4'-P energy: -56.816
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -606.853968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.853968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.853968 (E_RNA)
where:
Base-Base interactions energy: -300.718
where: short stacking energy: -158.557
Base-Backbone interact. energy: -0.937
local terms energy: -305.198611
where:
bonds (distance) C4'-P energy: -79.481
bonds (distance) P-C4' energy: -96.494
flat angles C4'-P-C4' energy: -84.382
flat angles P-C4'-P energy: -42.012
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -580.451904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.451904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.451904 (E_RNA)
where:
Base-Base interactions energy: -282.827
where: short stacking energy: -163.378
Base-Backbone interact. energy: 0.454
local terms energy: -298.079272
where:
bonds (distance) C4'-P energy: -85.711
bonds (distance) P-C4' energy: -84.477
flat angles C4'-P-C4' energy: -89.763
flat angles P-C4'-P energy: -42.231
tors. eta vs tors. theta energy: 4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1694.621200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.621200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.621200 (E_RNA)
where:
Base-Base interactions energy: -1144.146
where: short stacking energy: -516.275
Base-Backbone interact. energy: -0.299
local terms energy: -550.176921
where:
bonds (distance) C4'-P energy: -101.449
bonds (distance) P-C4' energy: -102.367
flat angles C4'-P-C4' energy: -118.116
flat angles P-C4'-P energy: -76.265
tors. eta vs tors. theta energy: -151.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1628.759106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.759106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.759106 (E_RNA)
where:
Base-Base interactions energy: -1102.131
where: short stacking energy: -461.283
Base-Backbone interact. energy: -1.724
local terms energy: -524.904597
where:
bonds (distance) C4'-P energy: -99.341
bonds (distance) P-C4' energy: -102.663
flat angles C4'-P-C4' energy: -116.968
flat angles P-C4'-P energy: -73.371
tors. eta vs tors. theta energy: -132.561
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: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1457.650415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.650415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.650415 (E_RNA)
where:
Base-Base interactions energy: -976.084
where: short stacking energy: -435.218
Base-Backbone interact. energy: -1.972
local terms energy: -479.594937
where:
bonds (distance) C4'-P energy: -93.126
bonds (distance) P-C4' energy: -100.849
flat angles C4'-P-C4' energy: -85.322
flat angles P-C4'-P energy: -81.647
tors. eta vs tors. theta energy: -118.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1444.275463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.275463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.275463 (E_RNA)
where:
Base-Base interactions energy: -949.908
where: short stacking energy: -425.476
Base-Backbone interact. energy: -0.418
local terms energy: -493.949679
where:
bonds (distance) C4'-P energy: -110.188
bonds (distance) P-C4' energy: -89.817
flat angles C4'-P-C4' energy: -106.235
flat angles P-C4'-P energy: -66.182
tors. eta vs tors. theta energy: -121.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1255.644217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.644217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.644217 (E_RNA)
where:
Base-Base interactions energy: -811.330
where: short stacking energy: -368.120
Base-Backbone interact. energy: -2.274
local terms energy: -442.039908
where:
bonds (distance) C4'-P energy: -94.305
bonds (distance) P-C4' energy: -102.588
flat angles C4'-P-C4' energy: -91.068
flat angles P-C4'-P energy: -56.985
tors. eta vs tors. theta energy: -97.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1105.935406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.935406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.935406 (E_RNA)
where:
Base-Base interactions energy: -705.747
where: short stacking energy: -312.065
Base-Backbone interact. energy: -0.887
local terms energy: -399.300528
where:
bonds (distance) C4'-P energy: -70.214
bonds (distance) P-C4' energy: -91.645
flat angles C4'-P-C4' energy: -104.387
flat angles P-C4'-P energy: -64.726
tors. eta vs tors. theta energy: -68.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -908.918134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.918134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.918134 (E_RNA)
where:
Base-Base interactions energy: -534.465
where: short stacking energy: -243.433
Base-Backbone interact. energy: -1.889
local terms energy: -372.563539
where:
bonds (distance) C4'-P energy: -85.545
bonds (distance) P-C4' energy: -98.530
flat angles C4'-P-C4' energy: -72.995
flat angles P-C4'-P energy: -70.208
tors. eta vs tors. theta energy: -45.285
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: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -778.197720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.197720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.197720 (E_RNA)
where:
Base-Base interactions energy: -422.167
where: short stacking energy: -235.445
Base-Backbone interact. energy: 0.824
local terms energy: -356.854244
where:
bonds (distance) C4'-P energy: -96.740
bonds (distance) P-C4' energy: -88.980
flat angles C4'-P-C4' energy: -89.282
flat angles P-C4'-P energy: -52.299
tors. eta vs tors. theta energy: -29.553
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: 9, replica: 2
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -624.149671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.149671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.149671 (E_RNA)
where:
Base-Base interactions energy: -330.624
where: short stacking energy: -179.023
Base-Backbone interact. energy: 0.009
local terms energy: -293.535356
where:
bonds (distance) C4'-P energy: -73.672
bonds (distance) P-C4' energy: -77.717
flat angles C4'-P-C4' energy: -68.961
flat angles P-C4'-P energy: -51.369
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -557.870386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.870386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.870386 (E_RNA)
where:
Base-Base interactions energy: -283.199
where: short stacking energy: -135.521
Base-Backbone interact. energy: 4.231
local terms energy: -278.902086
where:
bonds (distance) C4'-P energy: -60.628
bonds (distance) P-C4' energy: -93.738
flat angles C4'-P-C4' energy: -93.032
flat angles P-C4'-P energy: -50.663
tors. eta vs tors. theta energy: 19.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1682.368789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.368789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.368789 (E_RNA)
where:
Base-Base interactions energy: -1162.229
where: short stacking energy: -501.871
Base-Backbone interact. energy: -1.311
local terms energy: -518.828509
where:
bonds (distance) C4'-P energy: -97.812
bonds (distance) P-C4' energy: -91.425
flat angles C4'-P-C4' energy: -120.562
flat angles P-C4'-P energy: -64.360
tors. eta vs tors. theta energy: -144.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1626.126630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.126630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.126630 (E_RNA)
where:
Base-Base interactions energy: -1097.545
where: short stacking energy: -446.316
Base-Backbone interact. energy: -1.580
local terms energy: -527.001430
where:
bonds (distance) C4'-P energy: -108.130
bonds (distance) P-C4' energy: -103.150
flat angles C4'-P-C4' energy: -114.673
flat angles P-C4'-P energy: -71.184
tors. eta vs tors. theta energy: -129.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1455.931472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.931472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.931472 (E_RNA)
where:
Base-Base interactions energy: -941.552
where: short stacking energy: -459.798
Base-Backbone interact. energy: -1.264
local terms energy: -513.115677
where:
bonds (distance) C4'-P energy: -98.141
bonds (distance) P-C4' energy: -97.644
flat angles C4'-P-C4' energy: -113.554
flat angles P-C4'-P energy: -77.600
tors. eta vs tors. theta energy: -126.176
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: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1402.688746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.688746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.688746 (E_RNA)
where:
Base-Base interactions energy: -928.827
where: short stacking energy: -402.054
Base-Backbone interact. energy: -1.577
local terms energy: -472.284641
where:
bonds (distance) C4'-P energy: -90.227
bonds (distance) P-C4' energy: -104.426
flat angles C4'-P-C4' energy: -103.003
flat angles P-C4'-P energy: -68.133
tors. eta vs tors. theta energy: -106.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1235.167575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.167575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.167575 (E_RNA)
where:
Base-Base interactions energy: -796.403
where: short stacking energy: -390.930
Base-Backbone interact. energy: -2.545
local terms energy: -436.219448
where:
bonds (distance) C4'-P energy: -97.254
bonds (distance) P-C4' energy: -83.685
flat angles C4'-P-C4' energy: -95.710
flat angles P-C4'-P energy: -55.640
tors. eta vs tors. theta energy: -103.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1110.357090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.357090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.357090 (E_RNA)
where:
Base-Base interactions energy: -706.129
where: short stacking energy: -340.873
Base-Backbone interact. energy: -1.296
local terms energy: -402.932055
where:
bonds (distance) C4'-P energy: -78.586
bonds (distance) P-C4' energy: -79.587
flat angles C4'-P-C4' energy: -94.156
flat angles P-C4'-P energy: -63.607
tors. eta vs tors. theta energy: -86.996
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: 1
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -920.124199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.124199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.124199 (E_RNA)
where:
Base-Base interactions energy: -569.289
where: short stacking energy: -268.897
Base-Backbone interact. energy: -1.378
local terms energy: -349.457898
where:
bonds (distance) C4'-P energy: -74.053
bonds (distance) P-C4' energy: -86.951
flat angles C4'-P-C4' energy: -89.235
flat angles P-C4'-P energy: -54.920
tors. eta vs tors. theta energy: -44.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -791.851385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.851385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.851385 (E_RNA)
where:
Base-Base interactions energy: -453.075
where: short stacking energy: -230.458
Base-Backbone interact. energy: -0.088
local terms energy: -338.689061
where:
bonds (distance) C4'-P energy: -80.235
bonds (distance) P-C4' energy: -86.490
flat angles C4'-P-C4' energy: -83.918
flat angles P-C4'-P energy: -51.284
tors. eta vs tors. theta energy: -36.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -620.626076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.626076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.626076 (E_RNA)
where:
Base-Base interactions energy: -332.308
where: short stacking energy: -190.706
Base-Backbone interact. energy: 7.556
local terms energy: -295.874660
where:
bonds (distance) C4'-P energy: -70.234
bonds (distance) P-C4' energy: -83.111
flat angles C4'-P-C4' energy: -81.032
flat angles P-C4'-P energy: -48.569
tors. eta vs tors. theta energy: -12.929
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: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -560.612280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.612280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.612280 (E_RNA)
where:
Base-Base interactions energy: -267.539
where: short stacking energy: -163.734
Base-Backbone interact. energy: -1.344
local terms energy: -291.729864
where:
bonds (distance) C4'-P energy: -61.848
bonds (distance) P-C4' energy: -84.414
flat angles C4'-P-C4' energy: -75.104
flat angles P-C4'-P energy: -46.569
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1709.860253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.860253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.860253 (E_RNA)
where:
Base-Base interactions energy: -1170.928
where: short stacking energy: -504.392
Base-Backbone interact. energy: -3.042
local terms energy: -535.890508
where:
bonds (distance) C4'-P energy: -100.922
bonds (distance) P-C4' energy: -108.597
flat angles C4'-P-C4' energy: -114.305
flat angles P-C4'-P energy: -71.044
tors. eta vs tors. theta energy: -141.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1636.282657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.282657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.282657 (E_RNA)
where:
Base-Base interactions energy: -1104.349
where: short stacking energy: -472.854
Base-Backbone interact. energy: -0.035
local terms energy: -531.898169
where:
bonds (distance) C4'-P energy: -105.992
bonds (distance) P-C4' energy: -106.084
flat angles C4'-P-C4' energy: -109.613
flat angles P-C4'-P energy: -78.125
tors. eta vs tors. theta energy: -132.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1498.210340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.210340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.210340 (E_RNA)
where:
Base-Base interactions energy: -997.310
where: short stacking energy: -458.947
Base-Backbone interact. energy: -1.871
local terms energy: -499.029968
where:
bonds (distance) C4'-P energy: -93.898
bonds (distance) P-C4' energy: -100.364
flat angles C4'-P-C4' energy: -104.888
flat angles P-C4'-P energy: -74.505
tors. eta vs tors. theta energy: -125.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1399.894783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.894783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.894783 (E_RNA)
where:
Base-Base interactions energy: -941.978
where: short stacking energy: -413.112
Base-Backbone interact. energy: -0.310
local terms energy: -457.606889
where:
bonds (distance) C4'-P energy: -95.788
bonds (distance) P-C4' energy: -93.993
flat angles C4'-P-C4' energy: -100.418
flat angles P-C4'-P energy: -54.300
tors. eta vs tors. theta energy: -113.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1252.876970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.876970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.876970 (E_RNA)
where:
Base-Base interactions energy: -802.698
where: short stacking energy: -371.264
Base-Backbone interact. energy: -1.526
local terms energy: -448.652476
where:
bonds (distance) C4'-P energy: -86.932
bonds (distance) P-C4' energy: -95.871
flat angles C4'-P-C4' energy: -99.989
flat angles P-C4'-P energy: -66.956
tors. eta vs tors. theta energy: -98.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1122.972004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.972004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.972004 (E_RNA)
where:
Base-Base interactions energy: -682.141
where: short stacking energy: -313.249
Base-Backbone interact. energy: -0.991
local terms energy: -439.839453
where:
bonds (distance) C4'-P energy: -84.795
bonds (distance) P-C4' energy: -108.372
flat angles C4'-P-C4' energy: -104.218
flat angles P-C4'-P energy: -50.269
tors. eta vs tors. theta energy: -92.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -901.721879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.721879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.721879 (E_RNA)
where:
Base-Base interactions energy: -530.250
where: short stacking energy: -255.671
Base-Backbone interact. energy: -1.601
local terms energy: -369.870515
where:
bonds (distance) C4'-P energy: -88.874
bonds (distance) P-C4' energy: -103.597
flat angles C4'-P-C4' energy: -78.915
flat angles P-C4'-P energy: -48.787
tors. eta vs tors. theta energy: -49.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -882.286408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.286408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.286408 (E_RNA)
where:
Base-Base interactions energy: -512.537
where: short stacking energy: -258.840
Base-Backbone interact. energy: 2.367
local terms energy: -372.117222
where:
bonds (distance) C4'-P energy: -81.662
bonds (distance) P-C4' energy: -95.074
flat angles C4'-P-C4' energy: -91.887
flat angles P-C4'-P energy: -66.059
tors. eta vs tors. theta energy: -37.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -603.907143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.907143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.907143 (E_RNA)
where:
Base-Base interactions energy: -305.956
where: short stacking energy: -170.652
Base-Backbone interact. energy: -0.003
local terms energy: -297.948287
where:
bonds (distance) C4'-P energy: -82.152
bonds (distance) P-C4' energy: -94.894
flat angles C4'-P-C4' energy: -74.328
flat angles P-C4'-P energy: -41.042
tors. eta vs tors. theta energy: -5.532
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: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -566.374061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.374061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.374061 (E_RNA)
where:
Base-Base interactions energy: -278.955
where: short stacking energy: -156.626
Base-Backbone interact. energy: 3.170
local terms energy: -290.588538
where:
bonds (distance) C4'-P energy: -76.475
bonds (distance) P-C4' energy: -71.372
flat angles C4'-P-C4' energy: -80.994
flat angles P-C4'-P energy: -55.641
tors. eta vs tors. theta energy: -6.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1714.703734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.703734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.703734 (E_RNA)
where:
Base-Base interactions energy: -1168.635
where: short stacking energy: -493.984
Base-Backbone interact. energy: -1.140
local terms energy: -544.928343
where:
bonds (distance) C4'-P energy: -104.207
bonds (distance) P-C4' energy: -103.791
flat angles C4'-P-C4' energy: -109.359
flat angles P-C4'-P energy: -76.853
tors. eta vs tors. theta energy: -150.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1610.132325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.132325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.132325 (E_RNA)
where:
Base-Base interactions energy: -1089.698
where: short stacking energy: -454.584
Base-Backbone interact. energy: -3.772
local terms energy: -516.662752
where:
bonds (distance) C4'-P energy: -94.278
bonds (distance) P-C4' energy: -103.851
flat angles C4'-P-C4' energy: -113.432
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -124.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1530.573173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.573173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.573173 (E_RNA)
where:
Base-Base interactions energy: -1016.606
where: short stacking energy: -483.914
Base-Backbone interact. energy: -3.191
local terms energy: -510.776348
where:
bonds (distance) C4'-P energy: -89.791
bonds (distance) P-C4' energy: -88.896
flat angles C4'-P-C4' energy: -115.817
flat angles P-C4'-P energy: -73.018
tors. eta vs tors. theta energy: -143.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1405.654036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.654036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.654036 (E_RNA)
where:
Base-Base interactions energy: -937.676
where: short stacking energy: -424.428
Base-Backbone interact. energy: -1.188
local terms energy: -466.789788
where:
bonds (distance) C4'-P energy: -87.289
bonds (distance) P-C4' energy: -92.277
flat angles C4'-P-C4' energy: -105.912
flat angles P-C4'-P energy: -67.064
tors. eta vs tors. theta energy: -114.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1212.985037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.985037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.985037 (E_RNA)
where:
Base-Base interactions energy: -799.492
where: short stacking energy: -341.150
Base-Backbone interact. energy: 0.200
local terms energy: -413.693055
where:
bonds (distance) C4'-P energy: -71.930
bonds (distance) P-C4' energy: -112.384
flat angles C4'-P-C4' energy: -97.706
flat angles P-C4'-P energy: -61.184
tors. eta vs tors. theta energy: -70.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1145.526486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.526486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.526486 (E_RNA)
where:
Base-Base interactions energy: -714.747
where: short stacking energy: -351.490
Base-Backbone interact. energy: -0.003
local terms energy: -430.776167
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -94.168
flat angles C4'-P-C4' energy: -103.033
flat angles P-C4'-P energy: -68.618
tors. eta vs tors. theta energy: -72.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -985.574930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.574930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.574930 (E_RNA)
where:
Base-Base interactions energy: -585.370
where: short stacking energy: -293.576
Base-Backbone interact. energy: 0.028
local terms energy: -400.233033
where:
bonds (distance) C4'-P energy: -81.668
bonds (distance) P-C4' energy: -92.229
flat angles C4'-P-C4' energy: -107.281
flat angles P-C4'-P energy: -53.952
tors. eta vs tors. theta energy: -65.102
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: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -955.447438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.447438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.447438 (E_RNA)
where:
Base-Base interactions energy: -587.156
where: short stacking energy: -268.969
Base-Backbone interact. energy: -1.674
local terms energy: -366.618284
where:
bonds (distance) C4'-P energy: -77.913
bonds (distance) P-C4' energy: -77.304
flat angles C4'-P-C4' energy: -97.900
flat angles P-C4'-P energy: -62.590
tors. eta vs tors. theta energy: -50.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -640.523826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.523826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.523826 (E_RNA)
where:
Base-Base interactions energy: -336.236
where: short stacking energy: -181.510
Base-Backbone interact. energy: 0.717
local terms energy: -305.005217
where:
bonds (distance) C4'-P energy: -83.731
bonds (distance) P-C4' energy: -77.656
flat angles C4'-P-C4' energy: -85.878
flat angles P-C4'-P energy: -51.923
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -551.412110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.412110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.412110 (E_RNA)
where:
Base-Base interactions energy: -246.042
where: short stacking energy: -142.205
Base-Backbone interact. energy: -2.486
local terms energy: -302.884164
where:
bonds (distance) C4'-P energy: -76.422
bonds (distance) P-C4' energy: -85.295
flat angles C4'-P-C4' energy: -86.986
flat angles P-C4'-P energy: -48.965
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1714.255103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.255103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.255103 (E_RNA)
where:
Base-Base interactions energy: -1174.995
where: short stacking energy: -488.433
Base-Backbone interact. energy: -3.985
local terms energy: -535.274838
where:
bonds (distance) C4'-P energy: -98.668
bonds (distance) P-C4' energy: -114.823
flat angles C4'-P-C4' energy: -105.898
flat angles P-C4'-P energy: -72.141
tors. eta vs tors. theta energy: -143.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1640.068325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.068325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.068325 (E_RNA)
where:
Base-Base interactions energy: -1108.702
where: short stacking energy: -480.918
Base-Backbone interact. energy: 1.676
local terms energy: -533.042317
where:
bonds (distance) C4'-P energy: -104.941
bonds (distance) P-C4' energy: -98.953
flat angles C4'-P-C4' energy: -123.443
flat angles P-C4'-P energy: -68.377
tors. eta vs tors. theta energy: -137.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1462.721844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.721844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.721844 (E_RNA)
where:
Base-Base interactions energy: -981.744
where: short stacking energy: -408.863
Base-Backbone interact. energy: 1.026
local terms energy: -482.004044
where:
bonds (distance) C4'-P energy: -98.169
bonds (distance) P-C4' energy: -105.047
flat angles C4'-P-C4' energy: -109.514
flat angles P-C4'-P energy: -62.319
tors. eta vs tors. theta energy: -106.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1402.999786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.999786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.999786 (E_RNA)
where:
Base-Base interactions energy: -937.905
where: short stacking energy: -417.664
Base-Backbone interact. energy: -2.966
local terms energy: -462.129089
where:
bonds (distance) C4'-P energy: -102.322
bonds (distance) P-C4' energy: -81.637
flat angles C4'-P-C4' energy: -102.896
flat angles P-C4'-P energy: -61.673
tors. eta vs tors. theta energy: -113.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1289.290919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.290919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.290919 (E_RNA)
where:
Base-Base interactions energy: -870.359
where: short stacking energy: -407.747
Base-Backbone interact. energy: 6.323
local terms energy: -425.254566
where:
bonds (distance) C4'-P energy: -94.262
bonds (distance) P-C4' energy: -84.308
flat angles C4'-P-C4' energy: -108.452
flat angles P-C4'-P energy: -51.115
tors. eta vs tors. theta energy: -87.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1173.483791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.483791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.483791 (E_RNA)
where:
Base-Base interactions energy: -748.774
where: short stacking energy: -352.798
Base-Backbone interact. energy: -0.741
local terms energy: -423.968959
where:
bonds (distance) C4'-P energy: -85.092
bonds (distance) P-C4' energy: -93.424
flat angles C4'-P-C4' energy: -96.813
flat angles P-C4'-P energy: -58.808
tors. eta vs tors. theta energy: -89.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -978.266793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.266793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.266793 (E_RNA)
where:
Base-Base interactions energy: -597.434
where: short stacking energy: -295.474
Base-Backbone interact. energy: -2.977
local terms energy: -377.855516
where:
bonds (distance) C4'-P energy: -85.847
bonds (distance) P-C4' energy: -92.174
flat angles C4'-P-C4' energy: -94.815
flat angles P-C4'-P energy: -53.940
tors. eta vs tors. theta energy: -51.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -964.936040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.936040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.936040 (E_RNA)
where:
Base-Base interactions energy: -584.634
where: short stacking energy: -274.233
Base-Backbone interact. energy: -3.238
local terms energy: -377.064863
where:
bonds (distance) C4'-P energy: -84.587
bonds (distance) P-C4' energy: -83.234
flat angles C4'-P-C4' energy: -96.168
flat angles P-C4'-P energy: -53.850
tors. eta vs tors. theta energy: -59.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -652.215877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.215877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.215877 (E_RNA)
where:
Base-Base interactions energy: -334.656
where: short stacking energy: -193.164
Base-Backbone interact. energy: -1.208
local terms energy: -316.351269
where:
bonds (distance) C4'-P energy: -83.171
bonds (distance) P-C4' energy: -87.053
flat angles C4'-P-C4' energy: -76.007
flat angles P-C4'-P energy: -48.967
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -574.475702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.475702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.475702 (E_RNA)
where:
Base-Base interactions energy: -275.907
where: short stacking energy: -151.702
Base-Backbone interact. energy: 2.560
local terms energy: -301.128291
where:
bonds (distance) C4'-P energy: -83.279
bonds (distance) P-C4' energy: -100.273
flat angles C4'-P-C4' energy: -67.415
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -4.542
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: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1731.690996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.690996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.690996 (E_RNA)
where:
Base-Base interactions energy: -1170.889
where: short stacking energy: -510.814
Base-Backbone interact. energy: -6.109
local terms energy: -554.692797
where:
bonds (distance) C4'-P energy: -105.535
bonds (distance) P-C4' energy: -107.654
flat angles C4'-P-C4' energy: -119.632
flat angles P-C4'-P energy: -78.907
tors. eta vs tors. theta energy: -142.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1595.406791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.406791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.406791 (E_RNA)
where:
Base-Base interactions energy: -1075.553
where: short stacking energy: -457.450
Base-Backbone interact. energy: -2.275
local terms energy: -517.579087
where:
bonds (distance) C4'-P energy: -96.888
bonds (distance) P-C4' energy: -102.947
flat angles C4'-P-C4' energy: -108.098
flat angles P-C4'-P energy: -81.198
tors. eta vs tors. theta energy: -128.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1453.324006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.324006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.324006 (E_RNA)
where:
Base-Base interactions energy: -957.445
where: short stacking energy: -435.620
Base-Backbone interact. energy: -0.453
local terms energy: -495.425741
where:
bonds (distance) C4'-P energy: -100.049
bonds (distance) P-C4' energy: -92.254
flat angles C4'-P-C4' energy: -111.379
flat angles P-C4'-P energy: -76.566
tors. eta vs tors. theta energy: -115.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1443.070769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.070769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.070769 (E_RNA)
where:
Base-Base interactions energy: -951.905
where: short stacking energy: -434.239
Base-Backbone interact. energy: -2.469
local terms energy: -488.696898
where:
bonds (distance) C4'-P energy: -93.396
bonds (distance) P-C4' energy: -102.936
flat angles C4'-P-C4' energy: -103.713
flat angles P-C4'-P energy: -69.511
tors. eta vs tors. theta energy: -119.141
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: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1299.498536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.498536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.498536 (E_RNA)
where:
Base-Base interactions energy: -853.374
where: short stacking energy: -373.629
Base-Backbone interact. energy: 1.767
local terms energy: -447.891591
where:
bonds (distance) C4'-P energy: -68.355
bonds (distance) P-C4' energy: -104.188
flat angles C4'-P-C4' energy: -109.609
flat angles P-C4'-P energy: -61.543
tors. eta vs tors. theta energy: -104.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1171.466610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.466610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.466610 (E_RNA)
where:
Base-Base interactions energy: -732.631
where: short stacking energy: -344.974
Base-Backbone interact. energy: -0.544
local terms energy: -438.291878
where:
bonds (distance) C4'-P energy: -82.593
bonds (distance) P-C4' energy: -92.886
flat angles C4'-P-C4' energy: -106.781
flat angles P-C4'-P energy: -63.416
tors. eta vs tors. theta energy: -92.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -960.666033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.666033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.666033 (E_RNA)
where:
Base-Base interactions energy: -575.940
where: short stacking energy: -301.377
Base-Backbone interact. energy: -1.365
local terms energy: -383.361370
where:
bonds (distance) C4'-P energy: -83.472
bonds (distance) P-C4' energy: -90.180
flat angles C4'-P-C4' energy: -81.894
flat angles P-C4'-P energy: -64.963
tors. eta vs tors. theta energy: -62.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -900.868480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.868480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.868480 (E_RNA)
where:
Base-Base interactions energy: -553.534
where: short stacking energy: -284.546
Base-Backbone interact. energy: -3.033
local terms energy: -344.301568
where:
bonds (distance) C4'-P energy: -58.082
bonds (distance) P-C4' energy: -82.190
flat angles C4'-P-C4' energy: -84.739
flat angles P-C4'-P energy: -66.881
tors. eta vs tors. theta energy: -52.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -609.542592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.542592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.542592 (E_RNA)
where:
Base-Base interactions energy: -308.609
where: short stacking energy: -174.858
Base-Backbone interact. energy: 0.613
local terms energy: -301.546607
where:
bonds (distance) C4'-P energy: -55.673
bonds (distance) P-C4' energy: -84.172
flat angles C4'-P-C4' energy: -80.708
flat angles P-C4'-P energy: -55.017
tors. eta vs tors. theta energy: -25.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -522.044536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.044536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.044536 (E_RNA)
where:
Base-Base interactions energy: -243.248
where: short stacking energy: -133.889
Base-Backbone interact. energy: -2.620
local terms energy: -276.176496
where:
bonds (distance) C4'-P energy: -92.080
bonds (distance) P-C4' energy: -79.338
flat angles C4'-P-C4' energy: -57.881
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1739.309856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.309856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.309856 (E_RNA)
where:
Base-Base interactions energy: -1180.587
where: short stacking energy: -508.310
Base-Backbone interact. energy: -3.947
local terms energy: -554.775815
where:
bonds (distance) C4'-P energy: -108.848
bonds (distance) P-C4' energy: -106.868
flat angles C4'-P-C4' energy: -111.490
flat angles P-C4'-P energy: -74.729
tors. eta vs tors. theta energy: -152.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1620.554290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.554290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.554290 (E_RNA)
where:
Base-Base interactions energy: -1100.295
where: short stacking energy: -475.926
Base-Backbone interact. energy: -3.161
local terms energy: -517.098810
where:
bonds (distance) C4'-P energy: -88.312
bonds (distance) P-C4' energy: -107.038
flat angles C4'-P-C4' energy: -115.784
flat angles P-C4'-P energy: -68.369
tors. eta vs tors. theta energy: -137.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1480.389155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.389155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.389155 (E_RNA)
where:
Base-Base interactions energy: -965.826
where: short stacking energy: -462.640
Base-Backbone interact. energy: -3.233
local terms energy: -511.330521
where:
bonds (distance) C4'-P energy: -102.543
bonds (distance) P-C4' energy: -98.291
flat angles C4'-P-C4' energy: -103.633
flat angles P-C4'-P energy: -75.215
tors. eta vs tors. theta energy: -131.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1446.787195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.787195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.787195 (E_RNA)
where:
Base-Base interactions energy: -950.202
where: short stacking energy: -448.448
Base-Backbone interact. energy: -1.708
local terms energy: -494.876902
where:
bonds (distance) C4'-P energy: -88.174
bonds (distance) P-C4' energy: -91.918
flat angles C4'-P-C4' energy: -111.381
flat angles P-C4'-P energy: -72.601
tors. eta vs tors. theta energy: -130.802
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: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1266.382697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.382697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.382697 (E_RNA)
where:
Base-Base interactions energy: -802.436
where: short stacking energy: -380.077
Base-Backbone interact. energy: -1.629
local terms energy: -462.317225
where:
bonds (distance) C4'-P energy: -90.666
bonds (distance) P-C4' energy: -99.048
flat angles C4'-P-C4' energy: -105.626
flat angles P-C4'-P energy: -62.038
tors. eta vs tors. theta energy: -104.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1221.841234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.841234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.841234 (E_RNA)
where:
Base-Base interactions energy: -806.002
where: short stacking energy: -350.640
Base-Backbone interact. energy: -0.598
local terms energy: -415.241629
where:
bonds (distance) C4'-P energy: -90.208
bonds (distance) P-C4' energy: -97.811
flat angles C4'-P-C4' energy: -84.225
flat angles P-C4'-P energy: -52.757
tors. eta vs tors. theta energy: -90.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -976.055042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.055042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.055042 (E_RNA)
where:
Base-Base interactions energy: -585.778
where: short stacking energy: -284.678
Base-Backbone interact. energy: -2.241
local terms energy: -388.036215
where:
bonds (distance) C4'-P energy: -89.884
bonds (distance) P-C4' energy: -81.826
flat angles C4'-P-C4' energy: -83.399
flat angles P-C4'-P energy: -73.831
tors. eta vs tors. theta energy: -59.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -889.698000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.698000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.698000 (E_RNA)
where:
Base-Base interactions energy: -546.936
where: short stacking energy: -242.558
Base-Backbone interact. energy: -1.011
local terms energy: -341.751819
where:
bonds (distance) C4'-P energy: -84.767
bonds (distance) P-C4' energy: -86.565
flat angles C4'-P-C4' energy: -88.705
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -38.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -623.210084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.210084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.210084 (E_RNA)
where:
Base-Base interactions energy: -310.923
where: short stacking energy: -164.718
Base-Backbone interact. energy: -2.662
local terms energy: -309.625875
where:
bonds (distance) C4'-P energy: -92.372
bonds (distance) P-C4' energy: -93.137
flat angles C4'-P-C4' energy: -71.922
flat angles P-C4'-P energy: -40.009
tors. eta vs tors. theta energy: -12.185
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: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -522.600790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.600790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.600790 (E_RNA)
where:
Base-Base interactions energy: -263.162
where: short stacking energy: -139.969
Base-Backbone interact. energy: -3.174
local terms energy: -256.265427
where:
bonds (distance) C4'-P energy: -72.356
bonds (distance) P-C4' energy: -77.554
flat angles C4'-P-C4' energy: -70.841
flat angles P-C4'-P energy: -40.949
tors. eta vs tors. theta energy: 5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1724.017730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.017730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.017730 (E_RNA)
where:
Base-Base interactions energy: -1156.007
where: short stacking energy: -487.725
Base-Backbone interact. energy: -2.971
local terms energy: -565.039757
where:
bonds (distance) C4'-P energy: -103.374
bonds (distance) P-C4' energy: -109.971
flat angles C4'-P-C4' energy: -118.177
flat angles P-C4'-P energy: -77.709
tors. eta vs tors. theta energy: -155.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1651.281582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.281582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.281582 (E_RNA)
where:
Base-Base interactions energy: -1107.287
where: short stacking energy: -487.339
Base-Backbone interact. energy: 1.717
local terms energy: -545.712095
where:
bonds (distance) C4'-P energy: -101.716
bonds (distance) P-C4' energy: -110.556
flat angles C4'-P-C4' energy: -117.895
flat angles P-C4'-P energy: -76.332
tors. eta vs tors. theta energy: -139.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1451.546503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.546503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.546503 (E_RNA)
where:
Base-Base interactions energy: -999.769
where: short stacking energy: -429.514
Base-Backbone interact. energy: 0.995
local terms energy: -452.772672
where:
bonds (distance) C4'-P energy: -73.940
bonds (distance) P-C4' energy: -88.774
flat angles C4'-P-C4' energy: -114.897
flat angles P-C4'-P energy: -56.336
tors. eta vs tors. theta energy: -118.826
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: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1439.853552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.853552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.853552 (E_RNA)
where:
Base-Base interactions energy: -957.727
where: short stacking energy: -416.875
Base-Backbone interact. energy: 1.333
local terms energy: -483.458738
where:
bonds (distance) C4'-P energy: -94.207
bonds (distance) P-C4' energy: -101.323
flat angles C4'-P-C4' energy: -101.010
flat angles P-C4'-P energy: -57.451
tors. eta vs tors. theta energy: -129.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1267.855243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.855243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.855243 (E_RNA)
where:
Base-Base interactions energy: -825.837
where: short stacking energy: -395.856
Base-Backbone interact. energy: -3.693
local terms energy: -438.325733
where:
bonds (distance) C4'-P energy: -90.659
bonds (distance) P-C4' energy: -96.295
flat angles C4'-P-C4' energy: -103.297
flat angles P-C4'-P energy: -42.032
tors. eta vs tors. theta energy: -106.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1260.337266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.337266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.337266 (E_RNA)
where:
Base-Base interactions energy: -828.592
where: short stacking energy: -400.341
Base-Backbone interact. energy: -0.909
local terms energy: -430.836135
where:
bonds (distance) C4'-P energy: -86.747
bonds (distance) P-C4' energy: -75.192
flat angles C4'-P-C4' energy: -98.982
flat angles P-C4'-P energy: -65.677
tors. eta vs tors. theta energy: -104.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -968.183678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.183678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.183678 (E_RNA)
where:
Base-Base interactions energy: -609.969
where: short stacking energy: -290.824
Base-Backbone interact. energy: 0.681
local terms energy: -358.895808
where:
bonds (distance) C4'-P energy: -83.293
bonds (distance) P-C4' energy: -82.785
flat angles C4'-P-C4' energy: -94.151
flat angles P-C4'-P energy: -53.011
tors. eta vs tors. theta energy: -45.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -928.187276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.187276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.187276 (E_RNA)
where:
Base-Base interactions energy: -548.331
where: short stacking energy: -283.205
Base-Backbone interact. energy: -2.149
local terms energy: -377.707871
where:
bonds (distance) C4'-P energy: -74.314
bonds (distance) P-C4' energy: -96.928
flat angles C4'-P-C4' energy: -90.092
flat angles P-C4'-P energy: -52.949
tors. eta vs tors. theta energy: -63.424
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: 2
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -602.467985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.467985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.467985 (E_RNA)
where:
Base-Base interactions energy: -303.886
where: short stacking energy: -138.522
Base-Backbone interact. energy: 0.535
local terms energy: -299.117096
where:
bonds (distance) C4'-P energy: -81.916
bonds (distance) P-C4' energy: -92.625
flat angles C4'-P-C4' energy: -81.707
flat angles P-C4'-P energy: -47.355
tors. eta vs tors. theta energy: 4.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -552.128787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.128787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.128787 (E_RNA)
where:
Base-Base interactions energy: -257.005
where: short stacking energy: -141.814
Base-Backbone interact. energy: -4.242
local terms energy: -290.881361
where:
bonds (distance) C4'-P energy: -69.673
bonds (distance) P-C4' energy: -94.809
flat angles C4'-P-C4' energy: -77.987
flat angles P-C4'-P energy: -42.604
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1718.231424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.231424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.231424 (E_RNA)
where:
Base-Base interactions energy: -1156.861
where: short stacking energy: -479.110
Base-Backbone interact. energy: -2.211
local terms energy: -559.159099
where:
bonds (distance) C4'-P energy: -102.836
bonds (distance) P-C4' energy: -111.021
flat angles C4'-P-C4' energy: -114.408
flat angles P-C4'-P energy: -84.759
tors. eta vs tors. theta energy: -146.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1620.414783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.414783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.414783 (E_RNA)
where:
Base-Base interactions energy: -1102.528
where: short stacking energy: -475.576
Base-Backbone interact. energy: -1.768
local terms energy: -516.119070
where:
bonds (distance) C4'-P energy: -86.941
bonds (distance) P-C4' energy: -104.706
flat angles C4'-P-C4' energy: -115.231
flat angles P-C4'-P energy: -73.613
tors. eta vs tors. theta energy: -135.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1489.420382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.420382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.420382 (E_RNA)
where:
Base-Base interactions energy: -996.372
where: short stacking energy: -457.070
Base-Backbone interact. energy: -2.720
local terms energy: -490.328722
where:
bonds (distance) C4'-P energy: -85.807
bonds (distance) P-C4' energy: -109.854
flat angles C4'-P-C4' energy: -107.485
flat angles P-C4'-P energy: -67.983
tors. eta vs tors. theta energy: -119.200
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: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1410.874387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.874387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.874387 (E_RNA)
where:
Base-Base interactions energy: -936.781
where: short stacking energy: -415.776
Base-Backbone interact. energy: 0.361
local terms energy: -474.454185
where:
bonds (distance) C4'-P energy: -98.163
bonds (distance) P-C4' energy: -98.554
flat angles C4'-P-C4' energy: -106.324
flat angles P-C4'-P energy: -56.954
tors. eta vs tors. theta energy: -114.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1253.787277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.787277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.787277 (E_RNA)
where:
Base-Base interactions energy: -805.831
where: short stacking energy: -379.285
Base-Backbone interact. energy: -2.173
local terms energy: -445.782388
where:
bonds (distance) C4'-P energy: -83.783
bonds (distance) P-C4' energy: -89.016
flat angles C4'-P-C4' energy: -110.066
flat angles P-C4'-P energy: -58.821
tors. eta vs tors. theta energy: -104.097
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: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1197.141743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.141743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.141743 (E_RNA)
where:
Base-Base interactions energy: -767.336
where: short stacking energy: -334.690
Base-Backbone interact. energy: -2.581
local terms energy: -427.224675
where:
bonds (distance) C4'-P energy: -92.941
bonds (distance) P-C4' energy: -95.915
flat angles C4'-P-C4' energy: -96.079
flat angles P-C4'-P energy: -48.683
tors. eta vs tors. theta energy: -93.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -966.713724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.713724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.713724 (E_RNA)
where:
Base-Base interactions energy: -576.818
where: short stacking energy: -296.975
Base-Backbone interact. energy: -1.825
local terms energy: -388.070859
where:
bonds (distance) C4'-P energy: -89.667
bonds (distance) P-C4' energy: -87.362
flat angles C4'-P-C4' energy: -92.720
flat angles P-C4'-P energy: -51.027
tors. eta vs tors. theta energy: -67.295
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: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -857.481265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.481265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.481265 (E_RNA)
where:
Base-Base interactions energy: -515.479
where: short stacking energy: -256.614
Base-Backbone interact. energy: -1.260
local terms energy: -340.741961
where:
bonds (distance) C4'-P energy: -72.958
bonds (distance) P-C4' energy: -95.858
flat angles C4'-P-C4' energy: -73.190
flat angles P-C4'-P energy: -45.777
tors. eta vs tors. theta energy: -52.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -580.581029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.581029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.581029 (E_RNA)
where:
Base-Base interactions energy: -271.113
where: short stacking energy: -163.760
Base-Backbone interact. energy: -0.669
local terms energy: -308.799066
where:
bonds (distance) C4'-P energy: -76.322
bonds (distance) P-C4' energy: -92.697
flat angles C4'-P-C4' energy: -92.502
flat angles P-C4'-P energy: -46.661
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -547.144031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.144031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.144031 (E_RNA)
where:
Base-Base interactions energy: -277.649
where: short stacking energy: -172.490
Base-Backbone interact. energy: -0.124
local terms energy: -269.371429
where:
bonds (distance) C4'-P energy: -72.120
bonds (distance) P-C4' energy: -94.593
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -46.109
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1735.975090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.975090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.975090 (E_RNA)
where:
Base-Base interactions energy: -1202.312
where: short stacking energy: -499.639
Base-Backbone interact. energy: 0.842
local terms energy: -534.505327
where:
bonds (distance) C4'-P energy: -85.564
bonds (distance) P-C4' energy: -107.623
flat angles C4'-P-C4' energy: -126.569
flat angles P-C4'-P energy: -76.008
tors. eta vs tors. theta energy: -138.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1610.879029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.879029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.879029 (E_RNA)
where:
Base-Base interactions energy: -1118.525
where: short stacking energy: -448.319
Base-Backbone interact. energy: -3.343
local terms energy: -489.011554
where:
bonds (distance) C4'-P energy: -93.209
bonds (distance) P-C4' energy: -90.209
flat angles C4'-P-C4' energy: -112.186
flat angles P-C4'-P energy: -72.575
tors. eta vs tors. theta energy: -120.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1454.480729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.480729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.480729 (E_RNA)
where:
Base-Base interactions energy: -977.206
where: short stacking energy: -452.332
Base-Backbone interact. energy: 1.914
local terms energy: -479.189059
where:
bonds (distance) C4'-P energy: -94.870
bonds (distance) P-C4' energy: -82.454
flat angles C4'-P-C4' energy: -109.905
flat angles P-C4'-P energy: -69.575
tors. eta vs tors. theta energy: -122.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1469.432020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.432020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.432020 (E_RNA)
where:
Base-Base interactions energy: -982.855
where: short stacking energy: -437.135
Base-Backbone interact. energy: -4.365
local terms energy: -482.211899
where:
bonds (distance) C4'-P energy: -88.850
bonds (distance) P-C4' energy: -101.787
flat angles C4'-P-C4' energy: -110.291
flat angles P-C4'-P energy: -61.802
tors. eta vs tors. theta energy: -119.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1255.404715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.404715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.404715 (E_RNA)
where:
Base-Base interactions energy: -820.080
where: short stacking energy: -366.382
Base-Backbone interact. energy: -1.922
local terms energy: -433.402967
where:
bonds (distance) C4'-P energy: -73.605
bonds (distance) P-C4' energy: -96.410
flat angles C4'-P-C4' energy: -92.728
flat angles P-C4'-P energy: -63.070
tors. eta vs tors. theta energy: -107.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1191.288244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.288244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.288244 (E_RNA)
where:
Base-Base interactions energy: -766.810
where: short stacking energy: -368.680
Base-Backbone interact. energy: -1.788
local terms energy: -422.689681
where:
bonds (distance) C4'-P energy: -84.020
bonds (distance) P-C4' energy: -97.482
flat angles C4'-P-C4' energy: -89.927
flat angles P-C4'-P energy: -53.467
tors. eta vs tors. theta energy: -97.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -944.412255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.412255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.412255 (E_RNA)
where:
Base-Base interactions energy: -587.201
where: short stacking energy: -270.487
Base-Backbone interact. energy: 0.999
local terms energy: -358.210804
where:
bonds (distance) C4'-P energy: -80.110
bonds (distance) P-C4' energy: -92.655
flat angles C4'-P-C4' energy: -81.764
flat angles P-C4'-P energy: -60.601
tors. eta vs tors. theta energy: -43.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -813.366123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.366123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.366123 (E_RNA)
where:
Base-Base interactions energy: -495.738
where: short stacking energy: -238.499
Base-Backbone interact. energy: -2.152
local terms energy: -315.476456
where:
bonds (distance) C4'-P energy: -77.644
bonds (distance) P-C4' energy: -92.669
flat angles C4'-P-C4' energy: -74.751
flat angles P-C4'-P energy: -49.001
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -594.711352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.711352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.711352 (E_RNA)
where:
Base-Base interactions energy: -285.270
where: short stacking energy: -166.608
Base-Backbone interact. energy: -1.365
local terms energy: -308.075503
where:
bonds (distance) C4'-P energy: -80.370
bonds (distance) P-C4' energy: -93.252
flat angles C4'-P-C4' energy: -76.341
flat angles P-C4'-P energy: -51.273
tors. eta vs tors. theta energy: -6.839
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: 10, replica: 2
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -585.500648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.500648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.500648 (E_RNA)
where:
Base-Base interactions energy: -282.528
where: short stacking energy: -161.061
Base-Backbone interact. energy: -1.573
local terms energy: -301.400098
where:
bonds (distance) C4'-P energy: -77.680
bonds (distance) P-C4' energy: -93.250
flat angles C4'-P-C4' energy: -78.408
flat angles P-C4'-P energy: -42.251
tors. eta vs tors. theta energy: -9.811
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: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1761.357721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.357721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.357721 (E_RNA)
where:
Base-Base interactions energy: -1212.950
where: short stacking energy: -495.069
Base-Backbone interact. energy: 0.689
local terms energy: -549.096751
where:
bonds (distance) C4'-P energy: -107.114
bonds (distance) P-C4' energy: -105.718
flat angles C4'-P-C4' energy: -108.079
flat angles P-C4'-P energy: -83.887
tors. eta vs tors. theta energy: -144.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1614.160095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.160095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.160095 (E_RNA)
where:
Base-Base interactions energy: -1101.356
where: short stacking energy: -479.741
Base-Backbone interact. energy: -1.843
local terms energy: -510.961314
where:
bonds (distance) C4'-P energy: -90.938
bonds (distance) P-C4' energy: -109.404
flat angles C4'-P-C4' energy: -113.319
flat angles P-C4'-P energy: -66.418
tors. eta vs tors. theta energy: -130.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1558.280248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.280248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.280248 (E_RNA)
where:
Base-Base interactions energy: -1037.384
where: short stacking energy: -465.506
Base-Backbone interact. energy: -2.379
local terms energy: -518.516641
where:
bonds (distance) C4'-P energy: -91.797
bonds (distance) P-C4' energy: -102.459
flat angles C4'-P-C4' energy: -113.412
flat angles P-C4'-P energy: -71.354
tors. eta vs tors. theta energy: -139.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1417.863943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.863943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.863943 (E_RNA)
where:
Base-Base interactions energy: -926.308
where: short stacking energy: -457.312
Base-Backbone interact. energy: -1.838
local terms energy: -489.717594
where:
bonds (distance) C4'-P energy: -88.011
bonds (distance) P-C4' energy: -104.656
flat angles C4'-P-C4' energy: -105.038
flat angles P-C4'-P energy: -66.759
tors. eta vs tors. theta energy: -125.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1245.529122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.529122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.529122 (E_RNA)
where:
Base-Base interactions energy: -813.617
where: short stacking energy: -377.696
Base-Backbone interact. energy: -3.109
local terms energy: -428.803047
where:
bonds (distance) C4'-P energy: -100.436
bonds (distance) P-C4' energy: -95.490
flat angles C4'-P-C4' energy: -94.546
flat angles P-C4'-P energy: -52.079
tors. eta vs tors. theta energy: -86.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1174.126013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.126013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.126013 (E_RNA)
where:
Base-Base interactions energy: -760.342
where: short stacking energy: -354.075
Base-Backbone interact. energy: 0.297
local terms energy: -414.081395
where:
bonds (distance) C4'-P energy: -94.626
bonds (distance) P-C4' energy: -85.897
flat angles C4'-P-C4' energy: -88.586
flat angles P-C4'-P energy: -54.153
tors. eta vs tors. theta energy: -90.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -969.668369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.668369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.668369 (E_RNA)
where:
Base-Base interactions energy: -608.267
where: short stacking energy: -326.729
Base-Backbone interact. energy: -1.212
local terms energy: -360.189768
where:
bonds (distance) C4'-P energy: -76.055
bonds (distance) P-C4' energy: -84.699
flat angles C4'-P-C4' energy: -90.313
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -64.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -817.934295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.934295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.934295 (E_RNA)
where:
Base-Base interactions energy: -479.132
where: short stacking energy: -239.682
Base-Backbone interact. energy: -2.414
local terms energy: -336.388258
where:
bonds (distance) C4'-P energy: -79.242
bonds (distance) P-C4' energy: -103.028
flat angles C4'-P-C4' energy: -77.948
flat angles P-C4'-P energy: -43.221
tors. eta vs tors. theta energy: -32.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -634.891438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.891438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.891438 (E_RNA)
where:
Base-Base interactions energy: -332.301
where: short stacking energy: -182.195
Base-Backbone interact. energy: 1.420
local terms energy: -304.010638
where:
bonds (distance) C4'-P energy: -85.334
bonds (distance) P-C4' energy: -82.038
flat angles C4'-P-C4' energy: -85.136
flat angles P-C4'-P energy: -39.012
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -550.361931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.361931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.361931 (E_RNA)
where:
Base-Base interactions energy: -258.617
where: short stacking energy: -155.799
Base-Backbone interact. energy: 0.946
local terms energy: -292.690976
where:
bonds (distance) C4'-P energy: -83.120
bonds (distance) P-C4' energy: -79.455
flat angles C4'-P-C4' energy: -75.580
flat angles P-C4'-P energy: -50.120
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1686.566323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.566323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.566323 (E_RNA)
where:
Base-Base interactions energy: -1170.297
where: short stacking energy: -503.287
Base-Backbone interact. energy: -0.676
local terms energy: -515.593296
where:
bonds (distance) C4'-P energy: -96.287
bonds (distance) P-C4' energy: -89.185
flat angles C4'-P-C4' energy: -124.847
flat angles P-C4'-P energy: -64.101
tors. eta vs tors. theta energy: -141.173
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: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1617.527109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.527109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.527109 (E_RNA)
where:
Base-Base interactions energy: -1111.368
where: short stacking energy: -462.019
Base-Backbone interact. energy: -2.947
local terms energy: -503.211555
where:
bonds (distance) C4'-P energy: -91.841
bonds (distance) P-C4' energy: -106.291
flat angles C4'-P-C4' energy: -107.737
flat angles P-C4'-P energy: -68.049
tors. eta vs tors. theta energy: -129.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1506.522742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.522742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.522742 (E_RNA)
where:
Base-Base interactions energy: -989.880
where: short stacking energy: -452.458
Base-Backbone interact. energy: -3.297
local terms energy: -513.345677
where:
bonds (distance) C4'-P energy: -90.418
bonds (distance) P-C4' energy: -98.973
flat angles C4'-P-C4' energy: -114.743
flat angles P-C4'-P energy: -72.765
tors. eta vs tors. theta energy: -136.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1433.411278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.411278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.411278 (E_RNA)
where:
Base-Base interactions energy: -949.107
where: short stacking energy: -447.234
Base-Backbone interact. energy: 2.102
local terms energy: -486.405805
where:
bonds (distance) C4'-P energy: -94.264
bonds (distance) P-C4' energy: -102.792
flat angles C4'-P-C4' energy: -104.652
flat angles P-C4'-P energy: -58.845
tors. eta vs tors. theta energy: -125.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1263.136535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.136535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.136535 (E_RNA)
where:
Base-Base interactions energy: -806.908
where: short stacking energy: -358.128
Base-Backbone interact. energy: -1.922
local terms energy: -454.307031
where:
bonds (distance) C4'-P energy: -90.029
bonds (distance) P-C4' energy: -106.727
flat angles C4'-P-C4' energy: -108.932
flat angles P-C4'-P energy: -61.101
tors. eta vs tors. theta energy: -87.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1188.645911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.645911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.645911 (E_RNA)
where:
Base-Base interactions energy: -762.916
where: short stacking energy: -367.112
Base-Backbone interact. energy: -1.993
local terms energy: -423.737500
where:
bonds (distance) C4'-P energy: -78.666
bonds (distance) P-C4' energy: -90.010
flat angles C4'-P-C4' energy: -105.987
flat angles P-C4'-P energy: -54.040
tors. eta vs tors. theta energy: -95.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -935.544601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.544601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.544601 (E_RNA)
where:
Base-Base interactions energy: -587.436
where: short stacking energy: -268.556
Base-Backbone interact. energy: -1.278
local terms energy: -346.830577
where:
bonds (distance) C4'-P energy: -79.499
bonds (distance) P-C4' energy: -77.540
flat angles C4'-P-C4' energy: -83.861
flat angles P-C4'-P energy: -59.283
tors. eta vs tors. theta energy: -46.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -819.528061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.528061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.528061 (E_RNA)
where:
Base-Base interactions energy: -481.828
where: short stacking energy: -219.727
Base-Backbone interact. energy: 1.570
local terms energy: -339.270670
where:
bonds (distance) C4'-P energy: -90.025
bonds (distance) P-C4' energy: -80.624
flat angles C4'-P-C4' energy: -85.530
flat angles P-C4'-P energy: -55.055
tors. eta vs tors. theta energy: -28.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -710.415098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.415098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.415098 (E_RNA)
where:
Base-Base interactions energy: -392.466
where: short stacking energy: -215.976
Base-Backbone interact. energy: 1.628
local terms energy: -319.576701
where:
bonds (distance) C4'-P energy: -71.869
bonds (distance) P-C4' energy: -84.571
flat angles C4'-P-C4' energy: -82.467
flat angles P-C4'-P energy: -52.885
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -547.256216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.256216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.256216 (E_RNA)
where:
Base-Base interactions energy: -253.577
where: short stacking energy: -146.099
Base-Backbone interact. energy: 0.969
local terms energy: -294.647563
where:
bonds (distance) C4'-P energy: -82.505
bonds (distance) P-C4' energy: -84.946
flat angles C4'-P-C4' energy: -89.527
flat angles P-C4'-P energy: -39.208
tors. eta vs tors. theta energy: 1.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1693.821207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.821207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.821207 (E_RNA)
where:
Base-Base interactions energy: -1165.397
where: short stacking energy: -482.236
Base-Backbone interact. energy: -1.719
local terms energy: -526.704954
where:
bonds (distance) C4'-P energy: -107.805
bonds (distance) P-C4' energy: -93.573
flat angles C4'-P-C4' energy: -104.511
flat angles P-C4'-P energy: -81.879
tors. eta vs tors. theta energy: -138.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1645.292845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.292845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.292845 (E_RNA)
where:
Base-Base interactions energy: -1139.482
where: short stacking energy: -483.349
Base-Backbone interact. energy: -1.977
local terms energy: -503.833812
where:
bonds (distance) C4'-P energy: -98.985
bonds (distance) P-C4' energy: -100.150
flat angles C4'-P-C4' energy: -97.466
flat angles P-C4'-P energy: -67.821
tors. eta vs tors. theta energy: -139.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1486.904127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.904127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.904127 (E_RNA)
where:
Base-Base interactions energy: -977.769
where: short stacking energy: -436.169
Base-Backbone interact. energy: -0.300
local terms energy: -508.835060
where:
bonds (distance) C4'-P energy: -107.299
bonds (distance) P-C4' energy: -95.985
flat angles C4'-P-C4' energy: -101.533
flat angles P-C4'-P energy: -69.555
tors. eta vs tors. theta energy: -134.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1427.459663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.459663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.459663 (E_RNA)
where:
Base-Base interactions energy: -954.158
where: short stacking energy: -430.503
Base-Backbone interact. energy: -1.469
local terms energy: -471.832837
where:
bonds (distance) C4'-P energy: -101.090
bonds (distance) P-C4' energy: -90.198
flat angles C4'-P-C4' energy: -92.726
flat angles P-C4'-P energy: -65.925
tors. eta vs tors. theta energy: -121.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1212.358965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.358965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.358965 (E_RNA)
where:
Base-Base interactions energy: -799.187
where: short stacking energy: -363.270
Base-Backbone interact. energy: -1.089
local terms energy: -412.082517
where:
bonds (distance) C4'-P energy: -87.144
bonds (distance) P-C4' energy: -77.917
flat angles C4'-P-C4' energy: -98.960
flat angles P-C4'-P energy: -51.110
tors. eta vs tors. theta energy: -96.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1228.530547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.530547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.530547 (E_RNA)
where:
Base-Base interactions energy: -794.265
where: short stacking energy: -375.297
Base-Backbone interact. energy: -2.695
local terms energy: -431.570346
where:
bonds (distance) C4'-P energy: -91.090
bonds (distance) P-C4' energy: -87.150
flat angles C4'-P-C4' energy: -96.466
flat angles P-C4'-P energy: -70.378
tors. eta vs tors. theta energy: -86.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -937.556461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.556461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.556461 (E_RNA)
where:
Base-Base interactions energy: -568.215
where: short stacking energy: -276.196
Base-Backbone interact. energy: -0.554
local terms energy: -368.787668
where:
bonds (distance) C4'-P energy: -89.657
bonds (distance) P-C4' energy: -91.234
flat angles C4'-P-C4' energy: -86.554
flat angles P-C4'-P energy: -54.011
tors. eta vs tors. theta energy: -47.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -910.706018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.706018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.706018 (E_RNA)
where:
Base-Base interactions energy: -577.076
where: short stacking energy: -275.506
Base-Backbone interact. energy: -1.470
local terms energy: -332.159239
where:
bonds (distance) C4'-P energy: -87.597
bonds (distance) P-C4' energy: -81.564
flat angles C4'-P-C4' energy: -90.687
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -29.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -743.231702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.231702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.231702 (E_RNA)
where:
Base-Base interactions energy: -407.035
where: short stacking energy: -200.466
Base-Backbone interact. energy: 2.238
local terms energy: -338.434512
where:
bonds (distance) C4'-P energy: -97.713
bonds (distance) P-C4' energy: -76.040
flat angles C4'-P-C4' energy: -80.588
flat angles P-C4'-P energy: -54.375
tors. eta vs tors. theta energy: -29.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -525.407934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.407934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.407934 (E_RNA)
where:
Base-Base interactions energy: -245.852
where: short stacking energy: -149.086
Base-Backbone interact. energy: -3.210
local terms energy: -276.346356
where:
bonds (distance) C4'-P energy: -70.640
bonds (distance) P-C4' energy: -100.226
flat angles C4'-P-C4' energy: -62.872
flat angles P-C4'-P energy: -31.898
tors. eta vs tors. theta energy: -10.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1710.999822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.999822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.999822 (E_RNA)
where:
Base-Base interactions energy: -1163.140
where: short stacking energy: -497.416
Base-Backbone interact. energy: -2.661
local terms energy: -545.198632
where:
bonds (distance) C4'-P energy: -105.266
bonds (distance) P-C4' energy: -107.712
flat angles C4'-P-C4' energy: -118.334
flat angles P-C4'-P energy: -80.203
tors. eta vs tors. theta energy: -133.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1627.561107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.561107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.561107 (E_RNA)
where:
Base-Base interactions energy: -1115.428
where: short stacking energy: -464.549
Base-Backbone interact. energy: 0.867
local terms energy: -512.999804
where:
bonds (distance) C4'-P energy: -100.831
bonds (distance) P-C4' energy: -91.503
flat angles C4'-P-C4' energy: -114.115
flat angles P-C4'-P energy: -70.222
tors. eta vs tors. theta energy: -136.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1532.683217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.683217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.683217 (E_RNA)
where:
Base-Base interactions energy: -1029.772
where: short stacking energy: -456.602
Base-Backbone interact. energy: -1.904
local terms energy: -501.007628
where:
bonds (distance) C4'-P energy: -82.541
bonds (distance) P-C4' energy: -103.192
flat angles C4'-P-C4' energy: -109.703
flat angles P-C4'-P energy: -83.669
tors. eta vs tors. theta energy: -121.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1438.685533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.685533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.685533 (E_RNA)
where:
Base-Base interactions energy: -949.240
where: short stacking energy: -415.567
Base-Backbone interact. energy: 0.121
local terms energy: -489.566744
where:
bonds (distance) C4'-P energy: -94.362
bonds (distance) P-C4' energy: -97.522
flat angles C4'-P-C4' energy: -106.350
flat angles P-C4'-P energy: -75.132
tors. eta vs tors. theta energy: -116.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1201.814829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.814829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.814829 (E_RNA)
where:
Base-Base interactions energy: -763.641
where: short stacking energy: -366.840
Base-Backbone interact. energy: -1.778
local terms energy: -436.396488
where:
bonds (distance) C4'-P energy: -87.974
bonds (distance) P-C4' energy: -91.277
flat angles C4'-P-C4' energy: -94.876
flat angles P-C4'-P energy: -66.879
tors. eta vs tors. theta energy: -95.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1170.512499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.512499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.512499 (E_RNA)
where:
Base-Base interactions energy: -766.341
where: short stacking energy: -361.531
Base-Backbone interact. energy: 0.619
local terms energy: -404.790408
where:
bonds (distance) C4'-P energy: -76.915
bonds (distance) P-C4' energy: -84.913
flat angles C4'-P-C4' energy: -87.724
flat angles P-C4'-P energy: -66.562
tors. eta vs tors. theta energy: -88.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -931.262801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.262801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.262801 (E_RNA)
where:
Base-Base interactions energy: -575.350
where: short stacking energy: -274.106
Base-Backbone interact. energy: 2.535
local terms energy: -358.447211
where:
bonds (distance) C4'-P energy: -85.327
bonds (distance) P-C4' energy: -87.197
flat angles C4'-P-C4' energy: -85.875
flat angles P-C4'-P energy: -50.537
tors. eta vs tors. theta energy: -49.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -805.365064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.365064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.365064 (E_RNA)
where:
Base-Base interactions energy: -446.104
where: short stacking energy: -238.926
Base-Backbone interact. energy: 0.123
local terms energy: -359.384281
where:
bonds (distance) C4'-P energy: -78.845
bonds (distance) P-C4' energy: -87.165
flat angles C4'-P-C4' energy: -99.499
flat angles P-C4'-P energy: -54.687
tors. eta vs tors. theta energy: -39.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -793.571399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.571399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.571399 (E_RNA)
where:
Base-Base interactions energy: -463.484
where: short stacking energy: -207.816
Base-Backbone interact. energy: -4.869
local terms energy: -325.218012
where:
bonds (distance) C4'-P energy: -78.682
bonds (distance) P-C4' energy: -85.453
flat angles C4'-P-C4' energy: -77.838
flat angles P-C4'-P energy: -61.782
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -584.680894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.680894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.680894 (E_RNA)
where:
Base-Base interactions energy: -304.745
where: short stacking energy: -161.733
Base-Backbone interact. energy: -2.486
local terms energy: -277.449915
where:
bonds (distance) C4'-P energy: -70.704
bonds (distance) P-C4' energy: -94.241
flat angles C4'-P-C4' energy: -70.428
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: 5.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1674.808068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.808068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.808068 (E_RNA)
where:
Base-Base interactions energy: -1128.338
where: short stacking energy: -499.666
Base-Backbone interact. energy: -1.607
local terms energy: -544.862794
where:
bonds (distance) C4'-P energy: -105.896
bonds (distance) P-C4' energy: -98.835
flat angles C4'-P-C4' energy: -115.873
flat angles P-C4'-P energy: -82.147
tors. eta vs tors. theta energy: -142.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1627.960795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.960795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.960795 (E_RNA)
where:
Base-Base interactions energy: -1096.873
where: short stacking energy: -474.298
Base-Backbone interact. energy: -0.618
local terms energy: -530.469588
where:
bonds (distance) C4'-P energy: -97.431
bonds (distance) P-C4' energy: -104.360
flat angles C4'-P-C4' energy: -118.392
flat angles P-C4'-P energy: -70.879
tors. eta vs tors. theta energy: -139.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1514.917003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.917003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.917003 (E_RNA)
where:
Base-Base interactions energy: -1016.602
where: short stacking energy: -427.740
Base-Backbone interact. energy: 6.349
local terms energy: -504.663191
where:
bonds (distance) C4'-P energy: -100.118
bonds (distance) P-C4' energy: -97.767
flat angles C4'-P-C4' energy: -112.372
flat angles P-C4'-P energy: -75.783
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: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1412.462839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.462839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.462839 (E_RNA)
where:
Base-Base interactions energy: -946.780
where: short stacking energy: -402.788
Base-Backbone interact. energy: -1.697
local terms energy: -463.985711
where:
bonds (distance) C4'-P energy: -92.595
bonds (distance) P-C4' energy: -92.550
flat angles C4'-P-C4' energy: -102.814
flat angles P-C4'-P energy: -59.543
tors. eta vs tors. theta energy: -116.483
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: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1202.474449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.474449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.474449 (E_RNA)
where:
Base-Base interactions energy: -771.837
where: short stacking energy: -372.675
Base-Backbone interact. energy: -1.301
local terms energy: -429.336990
where:
bonds (distance) C4'-P energy: -75.644
bonds (distance) P-C4' energy: -90.873
flat angles C4'-P-C4' energy: -97.888
flat angles P-C4'-P energy: -67.021
tors. eta vs tors. theta energy: -97.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1143.652944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.652944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.652944 (E_RNA)
where:
Base-Base interactions energy: -727.786
where: short stacking energy: -331.400
Base-Backbone interact. energy: -1.048
local terms energy: -414.818530
where:
bonds (distance) C4'-P energy: -98.631
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -91.940
flat angles P-C4'-P energy: -65.404
tors. eta vs tors. theta energy: -84.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -986.454264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.454264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.454264 (E_RNA)
where:
Base-Base interactions energy: -608.485
where: short stacking energy: -288.974
Base-Backbone interact. energy: -1.584
local terms energy: -376.385977
where:
bonds (distance) C4'-P energy: -103.569
bonds (distance) P-C4' energy: -83.084
flat angles C4'-P-C4' energy: -74.280
flat angles P-C4'-P energy: -47.213
tors. eta vs tors. theta energy: -68.239
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: 8, replica: 2
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -829.090555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.090555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.090555 (E_RNA)
where:
Base-Base interactions energy: -484.613
where: short stacking energy: -247.293
Base-Backbone interact. energy: -1.125
local terms energy: -343.352749
where:
bonds (distance) C4'-P energy: -92.764
bonds (distance) P-C4' energy: -83.812
flat angles C4'-P-C4' energy: -96.778
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -37.665
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: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -757.041426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.041426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.041426 (E_RNA)
where:
Base-Base interactions energy: -447.967
where: short stacking energy: -214.966
Base-Backbone interact. energy: -1.170
local terms energy: -307.904211
where:
bonds (distance) C4'-P energy: -76.944
bonds (distance) P-C4' energy: -89.252
flat angles C4'-P-C4' energy: -84.661
flat angles P-C4'-P energy: -39.909
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -594.205145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.205145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.205145 (E_RNA)
where:
Base-Base interactions energy: -303.718
where: short stacking energy: -185.582
Base-Backbone interact. energy: -1.346
local terms energy: -289.140888
where:
bonds (distance) C4'-P energy: -66.820
bonds (distance) P-C4' energy: -72.182
flat angles C4'-P-C4' energy: -76.800
flat angles P-C4'-P energy: -48.311
tors. eta vs tors. theta energy: -25.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1705.296527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.296527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.296527 (E_RNA)
where:
Base-Base interactions energy: -1140.281
where: short stacking energy: -494.069
Base-Backbone interact. energy: -1.370
local terms energy: -563.645145
where:
bonds (distance) C4'-P energy: -108.944
bonds (distance) P-C4' energy: -101.683
flat angles C4'-P-C4' energy: -119.217
flat angles P-C4'-P energy: -85.940
tors. eta vs tors. theta energy: -147.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1632.061369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.061369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.061369 (E_RNA)
where:
Base-Base interactions energy: -1098.791
where: short stacking energy: -487.247
Base-Backbone interact. energy: -5.342
local terms energy: -527.928063
where:
bonds (distance) C4'-P energy: -101.649
bonds (distance) P-C4' energy: -99.886
flat angles C4'-P-C4' energy: -114.466
flat angles P-C4'-P energy: -76.215
tors. eta vs tors. theta energy: -135.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1529.095473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.095473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.095473 (E_RNA)
where:
Base-Base interactions energy: -996.286
where: short stacking energy: -453.702
Base-Backbone interact. energy: -2.694
local terms energy: -530.115032
where:
bonds (distance) C4'-P energy: -100.930
bonds (distance) P-C4' energy: -113.315
flat angles C4'-P-C4' energy: -109.367
flat angles P-C4'-P energy: -60.831
tors. eta vs tors. theta energy: -145.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1411.667861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.667861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.667861 (E_RNA)
where:
Base-Base interactions energy: -950.097
where: short stacking energy: -413.086
Base-Backbone interact. energy: 5.154
local terms energy: -466.724881
where:
bonds (distance) C4'-P energy: -96.634
bonds (distance) P-C4' energy: -90.050
flat angles C4'-P-C4' energy: -117.990
flat angles P-C4'-P energy: -58.645
tors. eta vs tors. theta energy: -103.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1276.708605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.708605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.708605 (E_RNA)
where:
Base-Base interactions energy: -798.217
where: short stacking energy: -372.994
Base-Backbone interact. energy: -0.501
local terms energy: -477.990154
where:
bonds (distance) C4'-P energy: -90.084
bonds (distance) P-C4' energy: -100.098
flat angles C4'-P-C4' energy: -112.306
flat angles P-C4'-P energy: -64.746
tors. eta vs tors. theta energy: -110.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1171.375151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.375151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.375151 (E_RNA)
where:
Base-Base interactions energy: -755.013
where: short stacking energy: -338.397
Base-Backbone interact. energy: -1.000
local terms energy: -415.361692
where:
bonds (distance) C4'-P energy: -95.669
bonds (distance) P-C4' energy: -99.899
flat angles C4'-P-C4' energy: -86.004
flat angles P-C4'-P energy: -49.590
tors. eta vs tors. theta energy: -84.199
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: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -999.129269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.129269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.129269 (E_RNA)
where:
Base-Base interactions energy: -593.240
where: short stacking energy: -273.203
Base-Backbone interact. energy: 1.936
local terms energy: -407.825565
where:
bonds (distance) C4'-P energy: -95.124
bonds (distance) P-C4' energy: -96.980
flat angles C4'-P-C4' energy: -84.929
flat angles P-C4'-P energy: -61.264
tors. eta vs tors. theta energy: -69.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -792.862115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.862115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.862115 (E_RNA)
where:
Base-Base interactions energy: -441.181
where: short stacking energy: -212.049
Base-Backbone interact. energy: 0.593
local terms energy: -352.274295
where:
bonds (distance) C4'-P energy: -84.219
bonds (distance) P-C4' energy: -96.429
flat angles C4'-P-C4' energy: -94.466
flat angles P-C4'-P energy: -44.922
tors. eta vs tors. theta energy: -32.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -734.575715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.575715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.575715 (E_RNA)
where:
Base-Base interactions energy: -426.794
where: short stacking energy: -201.167
Base-Backbone interact. energy: -2.358
local terms energy: -305.424045
where:
bonds (distance) C4'-P energy: -77.233
bonds (distance) P-C4' energy: -86.514
flat angles C4'-P-C4' energy: -72.562
flat angles P-C4'-P energy: -50.784
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -545.394749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.394749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.394749 (E_RNA)
where:
Base-Base interactions energy: -282.127
where: short stacking energy: -146.058
Base-Backbone interact. energy: -0.339
local terms energy: -262.928049
where:
bonds (distance) C4'-P energy: -67.998
bonds (distance) P-C4' energy: -90.811
flat angles C4'-P-C4' energy: -58.901
flat angles P-C4'-P energy: -54.859
tors. eta vs tors. theta energy: 9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1691.493194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.493194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.493194 (E_RNA)
where:
Base-Base interactions energy: -1150.346
where: short stacking energy: -496.239
Base-Backbone interact. energy: -1.611
local terms energy: -539.536181
where:
bonds (distance) C4'-P energy: -93.795
bonds (distance) P-C4' energy: -106.871
flat angles C4'-P-C4' energy: -118.119
flat angles P-C4'-P energy: -71.721
tors. eta vs tors. theta energy: -149.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1644.219228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.219228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.219228 (E_RNA)
where:
Base-Base interactions energy: -1124.335
where: short stacking energy: -502.992
Base-Backbone interact. energy: 0.322
local terms energy: -520.206025
where:
bonds (distance) C4'-P energy: -99.445
bonds (distance) P-C4' energy: -96.135
flat angles C4'-P-C4' energy: -112.496
flat angles P-C4'-P energy: -70.413
tors. eta vs tors. theta energy: -141.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1542.124195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.124195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.124195 (E_RNA)
where:
Base-Base interactions energy: -1013.217
where: short stacking energy: -479.502
Base-Backbone interact. energy: -3.442
local terms energy: -525.465361
where:
bonds (distance) C4'-P energy: -99.775
bonds (distance) P-C4' energy: -97.500
flat angles C4'-P-C4' energy: -112.095
flat angles P-C4'-P energy: -69.641
tors. eta vs tors. theta energy: -146.455
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: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1419.802558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.802558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.802558 (E_RNA)
where:
Base-Base interactions energy: -959.019
where: short stacking energy: -418.979
Base-Backbone interact. energy: -1.177
local terms energy: -459.606438
where:
bonds (distance) C4'-P energy: -89.463
bonds (distance) P-C4' energy: -91.672
flat angles C4'-P-C4' energy: -102.239
flat angles P-C4'-P energy: -66.974
tors. eta vs tors. theta energy: -109.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1223.098270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.098270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.098270 (E_RNA)
where:
Base-Base interactions energy: -787.322
where: short stacking energy: -371.175
Base-Backbone interact. energy: -3.264
local terms energy: -432.512145
where:
bonds (distance) C4'-P energy: -97.180
bonds (distance) P-C4' energy: -96.443
flat angles C4'-P-C4' energy: -87.044
flat angles P-C4'-P energy: -56.116
tors. eta vs tors. theta energy: -95.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1114.330027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.330027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.330027 (E_RNA)
where:
Base-Base interactions energy: -712.354
where: short stacking energy: -351.471
Base-Backbone interact. energy: -0.998
local terms energy: -400.978471
where:
bonds (distance) C4'-P energy: -61.349
bonds (distance) P-C4' energy: -89.450
flat angles C4'-P-C4' energy: -101.002
flat angles P-C4'-P energy: -57.876
tors. eta vs tors. theta energy: -91.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -998.813631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.813631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.813631 (E_RNA)
where:
Base-Base interactions energy: -620.860
where: short stacking energy: -284.497
Base-Backbone interact. energy: -0.915
local terms energy: -377.039372
where:
bonds (distance) C4'-P energy: -80.718
bonds (distance) P-C4' energy: -90.504
flat angles C4'-P-C4' energy: -102.475
flat angles P-C4'-P energy: -48.810
tors. eta vs tors. theta energy: -54.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -797.485397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.485397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.485397 (E_RNA)
where:
Base-Base interactions energy: -464.435
where: short stacking energy: -227.607
Base-Backbone interact. energy: -1.072
local terms energy: -331.978769
where:
bonds (distance) C4'-P energy: -92.119
bonds (distance) P-C4' energy: -76.111
flat angles C4'-P-C4' energy: -82.779
flat angles P-C4'-P energy: -53.625
tors. eta vs tors. theta energy: -27.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -708.159328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.159328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.159328 (E_RNA)
where:
Base-Base interactions energy: -375.301
where: short stacking energy: -199.420
Base-Backbone interact. energy: 0.244
local terms energy: -333.102115
where:
bonds (distance) C4'-P energy: -80.059
bonds (distance) P-C4' energy: -93.884
flat angles C4'-P-C4' energy: -81.724
flat angles P-C4'-P energy: -55.083
tors. eta vs tors. theta energy: -22.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -551.412111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.412111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.412111 (E_RNA)
where:
Base-Base interactions energy: -258.085
where: short stacking energy: -164.778
Base-Backbone interact. energy: 0.618
local terms energy: -293.945827
where:
bonds (distance) C4'-P energy: -69.140
bonds (distance) P-C4' energy: -99.295
flat angles C4'-P-C4' energy: -76.514
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: -7.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1710.985672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.985672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.985672 (E_RNA)
where:
Base-Base interactions energy: -1170.682
where: short stacking energy: -510.017
Base-Backbone interact. energy: -1.670
local terms energy: -538.633546
where:
bonds (distance) C4'-P energy: -95.925
bonds (distance) P-C4' energy: -105.616
flat angles C4'-P-C4' energy: -115.025
flat angles P-C4'-P energy: -80.946
tors. eta vs tors. theta energy: -141.123
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: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1632.012082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.012082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.012082 (E_RNA)
where:
Base-Base interactions energy: -1119.419
where: short stacking energy: -497.086
Base-Backbone interact. energy: 1.750
local terms energy: -514.342899
where:
bonds (distance) C4'-P energy: -81.605
bonds (distance) P-C4' energy: -103.563
flat angles C4'-P-C4' energy: -109.786
flat angles P-C4'-P energy: -72.696
tors. eta vs tors. theta energy: -146.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1514.200005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.200005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.200005 (E_RNA)
where:
Base-Base interactions energy: -1009.328
where: short stacking energy: -443.086
Base-Backbone interact. energy: 1.167
local terms energy: -506.039620
where:
bonds (distance) C4'-P energy: -97.849
bonds (distance) P-C4' energy: -99.208
flat angles C4'-P-C4' energy: -103.128
flat angles P-C4'-P energy: -73.217
tors. eta vs tors. theta energy: -132.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1387.604130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.604130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.604130 (E_RNA)
where:
Base-Base interactions energy: -913.124
where: short stacking energy: -374.434
Base-Backbone interact. energy: 0.691
local terms energy: -475.171385
where:
bonds (distance) C4'-P energy: -102.576
bonds (distance) P-C4' energy: -105.944
flat angles C4'-P-C4' energy: -108.587
flat angles P-C4'-P energy: -60.305
tors. eta vs tors. theta energy: -97.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1246.249346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.249346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.249346 (E_RNA)
where:
Base-Base interactions energy: -796.539
where: short stacking energy: -386.292
Base-Backbone interact. energy: -2.443
local terms energy: -447.267574
where:
bonds (distance) C4'-P energy: -95.400
bonds (distance) P-C4' energy: -81.055
flat angles C4'-P-C4' energy: -103.462
flat angles P-C4'-P energy: -62.629
tors. eta vs tors. theta energy: -104.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1113.411397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.411397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.411397 (E_RNA)
where:
Base-Base interactions energy: -699.000
where: short stacking energy: -328.139
Base-Backbone interact. energy: -2.817
local terms energy: -411.594481
where:
bonds (distance) C4'-P energy: -92.337
bonds (distance) P-C4' energy: -107.034
flat angles C4'-P-C4' energy: -90.982
flat angles P-C4'-P energy: -53.110
tors. eta vs tors. theta energy: -68.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -986.924275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.924275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.924275 (E_RNA)
where:
Base-Base interactions energy: -596.642
where: short stacking energy: -281.963
Base-Backbone interact. energy: -2.080
local terms energy: -388.202137
where:
bonds (distance) C4'-P energy: -74.429
bonds (distance) P-C4' energy: -93.768
flat angles C4'-P-C4' energy: -103.176
flat angles P-C4'-P energy: -53.214
tors. eta vs tors. theta energy: -63.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -800.083509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.083509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.083509 (E_RNA)
where:
Base-Base interactions energy: -473.172
where: short stacking energy: -245.677
Base-Backbone interact. energy: -0.717
local terms energy: -326.194341
where:
bonds (distance) C4'-P energy: -79.904
bonds (distance) P-C4' energy: -80.486
flat angles C4'-P-C4' energy: -77.772
flat angles P-C4'-P energy: -47.603
tors. eta vs tors. theta energy: -40.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -703.487807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.487807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.487807 (E_RNA)
where:
Base-Base interactions energy: -372.466
where: short stacking energy: -201.026
Base-Backbone interact. energy: -1.882
local terms energy: -329.139711
where:
bonds (distance) C4'-P energy: -93.337
bonds (distance) P-C4' energy: -89.389
flat angles C4'-P-C4' energy: -74.871
flat angles P-C4'-P energy: -49.793
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: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -540.447920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.447920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.447920 (E_RNA)
where:
Base-Base interactions energy: -261.100
where: short stacking energy: -153.202
Base-Backbone interact. energy: 4.600
local terms energy: -283.948431
where:
bonds (distance) C4'-P energy: -70.184
bonds (distance) P-C4' energy: -77.495
flat angles C4'-P-C4' energy: -88.346
flat angles P-C4'-P energy: -43.755
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1712.081184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.081184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.081184 (E_RNA)
where:
Base-Base interactions energy: -1182.269
where: short stacking energy: -510.494
Base-Backbone interact. energy: 1.195
local terms energy: -531.007212
where:
bonds (distance) C4'-P energy: -96.539
bonds (distance) P-C4' energy: -100.321
flat angles C4'-P-C4' energy: -116.663
flat angles P-C4'-P energy: -71.041
tors. eta vs tors. theta energy: -146.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1632.348160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.348160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.348160 (E_RNA)
where:
Base-Base interactions energy: -1114.654
where: short stacking energy: -497.440
Base-Backbone interact. energy: -0.606
local terms energy: -517.088120
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -94.327
flat angles C4'-P-C4' energy: -110.765
flat angles P-C4'-P energy: -79.044
tors. eta vs tors. theta energy: -148.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1519.500065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.500065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.500065 (E_RNA)
where:
Base-Base interactions energy: -1013.664
where: short stacking energy: -434.321
Base-Backbone interact. energy: 1.364
local terms energy: -507.199593
where:
bonds (distance) C4'-P energy: -97.737
bonds (distance) P-C4' energy: -94.897
flat angles C4'-P-C4' energy: -103.392
flat angles P-C4'-P energy: -75.163
tors. eta vs tors. theta energy: -136.011
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: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1445.738622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.738622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.738622 (E_RNA)
where:
Base-Base interactions energy: -972.629
where: short stacking energy: -445.532
Base-Backbone interact. energy: -2.164
local terms energy: -470.946342
where:
bonds (distance) C4'-P energy: -96.549
bonds (distance) P-C4' energy: -70.350
flat angles C4'-P-C4' energy: -113.242
flat angles P-C4'-P energy: -70.555
tors. eta vs tors. theta energy: -120.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1241.491528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.491528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.491528 (E_RNA)
where:
Base-Base interactions energy: -788.257
where: short stacking energy: -392.150
Base-Backbone interact. energy: 1.510
local terms energy: -454.744559
where:
bonds (distance) C4'-P energy: -92.255
bonds (distance) P-C4' energy: -87.185
flat angles C4'-P-C4' energy: -102.369
flat angles P-C4'-P energy: -62.689
tors. eta vs tors. theta energy: -110.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1112.378040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.378040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.378040 (E_RNA)
where:
Base-Base interactions energy: -691.312
where: short stacking energy: -303.512
Base-Backbone interact. energy: -0.627
local terms energy: -420.438405
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -88.506
flat angles C4'-P-C4' energy: -101.978
flat angles P-C4'-P energy: -62.370
tors. eta vs tors. theta energy: -72.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -985.979497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.979497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.979497 (E_RNA)
where:
Base-Base interactions energy: -617.483
where: short stacking energy: -295.230
Base-Backbone interact. energy: -1.195
local terms energy: -367.301813
where:
bonds (distance) C4'-P energy: -83.742
bonds (distance) P-C4' energy: -80.254
flat angles C4'-P-C4' energy: -93.546
flat angles P-C4'-P energy: -52.923
tors. eta vs tors. theta energy: -56.837
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: 2
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -792.263431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.263431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.263431 (E_RNA)
where:
Base-Base interactions energy: -442.031
where: short stacking energy: -212.018
Base-Backbone interact. energy: -1.546
local terms energy: -348.686741
where:
bonds (distance) C4'-P energy: -98.426
bonds (distance) P-C4' energy: -91.061
flat angles C4'-P-C4' energy: -70.858
flat angles P-C4'-P energy: -60.533
tors. eta vs tors. theta energy: -27.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -736.723219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.723219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.723219 (E_RNA)
where:
Base-Base interactions energy: -403.044
where: short stacking energy: -217.613
Base-Backbone interact. energy: -1.191
local terms energy: -332.487955
where:
bonds (distance) C4'-P energy: -66.449
bonds (distance) P-C4' energy: -71.185
flat angles C4'-P-C4' energy: -84.341
flat angles P-C4'-P energy: -67.148
tors. eta vs tors. theta energy: -43.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -489.668417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.668417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.668417 (E_RNA)
where:
Base-Base interactions energy: -247.188
where: short stacking energy: -148.575
Base-Backbone interact. energy: 4.479
local terms energy: -246.958622
where:
bonds (distance) C4'-P energy: -83.714
bonds (distance) P-C4' energy: -68.691
flat angles C4'-P-C4' energy: -66.518
flat angles P-C4'-P energy: -43.884
tors. eta vs tors. theta energy: 15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1704.908937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.908937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.908937 (E_RNA)
where:
Base-Base interactions energy: -1145.722
where: short stacking energy: -509.052
Base-Backbone interact. energy: 0.436
local terms energy: -559.622836
where:
bonds (distance) C4'-P energy: -100.712
bonds (distance) P-C4' energy: -109.032
flat angles C4'-P-C4' energy: -115.587
flat angles P-C4'-P energy: -84.182
tors. eta vs tors. theta energy: -150.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1627.216480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.216480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.216480 (E_RNA)
where:
Base-Base interactions energy: -1115.286
where: short stacking energy: -484.795
Base-Backbone interact. energy: -4.129
local terms energy: -507.801095
where:
bonds (distance) C4'-P energy: -91.205
bonds (distance) P-C4' energy: -109.138
flat angles C4'-P-C4' energy: -97.808
flat angles P-C4'-P energy: -75.564
tors. eta vs tors. theta energy: -134.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1564.156615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.156615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.156615 (E_RNA)
where:
Base-Base interactions energy: -1061.491
where: short stacking energy: -457.009
Base-Backbone interact. energy: -0.876
local terms energy: -501.789069
where:
bonds (distance) C4'-P energy: -93.826
bonds (distance) P-C4' energy: -100.390
flat angles C4'-P-C4' energy: -116.877
flat angles P-C4'-P energy: -55.666
tors. eta vs tors. theta energy: -135.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1407.026530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.026530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.026530 (E_RNA)
where:
Base-Base interactions energy: -946.383
where: short stacking energy: -408.003
Base-Backbone interact. energy: 1.524
local terms energy: -462.167604
where:
bonds (distance) C4'-P energy: -93.349
bonds (distance) P-C4' energy: -88.162
flat angles C4'-P-C4' energy: -103.388
flat angles P-C4'-P energy: -70.201
tors. eta vs tors. theta energy: -107.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1258.239575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.239575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.239575 (E_RNA)
where:
Base-Base interactions energy: -816.248
where: short stacking energy: -392.423
Base-Backbone interact. energy: 1.601
local terms energy: -443.592829
where:
bonds (distance) C4'-P energy: -83.613
bonds (distance) P-C4' energy: -73.220
flat angles C4'-P-C4' energy: -98.754
flat angles P-C4'-P energy: -75.554
tors. eta vs tors. theta energy: -112.452
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: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1134.996856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.996856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.996856 (E_RNA)
where:
Base-Base interactions energy: -722.468
where: short stacking energy: -356.116
Base-Backbone interact. energy: -1.059
local terms energy: -411.469864
where:
bonds (distance) C4'-P energy: -106.492
bonds (distance) P-C4' energy: -90.833
flat angles C4'-P-C4' energy: -84.778
flat angles P-C4'-P energy: -53.468
tors. eta vs tors. theta energy: -75.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -924.783775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.783775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.783775 (E_RNA)
where:
Base-Base interactions energy: -583.036
where: short stacking energy: -293.194
Base-Backbone interact. energy: 0.012
local terms energy: -341.759545
where:
bonds (distance) C4'-P energy: -84.328
bonds (distance) P-C4' energy: -85.105
flat angles C4'-P-C4' energy: -80.314
flat angles P-C4'-P energy: -57.082
tors. eta vs tors. theta energy: -34.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -849.398853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.398853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.398853 (E_RNA)
where:
Base-Base interactions energy: -522.576
where: short stacking energy: -228.060
Base-Backbone interact. energy: 0.362
local terms energy: -327.184089
where:
bonds (distance) C4'-P energy: -90.884
bonds (distance) P-C4' energy: -83.701
flat angles C4'-P-C4' energy: -72.880
flat angles P-C4'-P energy: -54.253
tors. eta vs tors. theta energy: -25.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -720.172580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.172580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.172580 (E_RNA)
where:
Base-Base interactions energy: -389.957
where: short stacking energy: -182.725
Base-Backbone interact. energy: -1.855
local terms energy: -328.360238
where:
bonds (distance) C4'-P energy: -90.449
bonds (distance) P-C4' energy: -104.771
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -52.633
tors. eta vs tors. theta energy: -19.290
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: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -518.614219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.614219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.614219 (E_RNA)
where:
Base-Base interactions energy: -261.117
where: short stacking energy: -133.933
Base-Backbone interact. energy: 2.807
local terms energy: -260.304158
where:
bonds (distance) C4'-P energy: -94.420
bonds (distance) P-C4' energy: -81.370
flat angles C4'-P-C4' energy: -69.239
flat angles P-C4'-P energy: -35.563
tors. eta vs tors. theta energy: 20.287
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: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1696.121905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.121905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.121905 (E_RNA)
where:
Base-Base interactions energy: -1173.940
where: short stacking energy: -510.800
Base-Backbone interact. energy: -1.052
local terms energy: -521.129325
where:
bonds (distance) C4'-P energy: -90.079
bonds (distance) P-C4' energy: -106.788
flat angles C4'-P-C4' energy: -117.344
flat angles P-C4'-P energy: -69.637
tors. eta vs tors. theta energy: -137.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1620.835779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.835779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.835779 (E_RNA)
where:
Base-Base interactions energy: -1095.304
where: short stacking energy: -471.018
Base-Backbone interact. energy: -1.008
local terms energy: -524.523842
where:
bonds (distance) C4'-P energy: -97.114
bonds (distance) P-C4' energy: -106.692
flat angles C4'-P-C4' energy: -107.832
flat angles P-C4'-P energy: -79.647
tors. eta vs tors. theta energy: -133.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1529.224165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.224165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.224165 (E_RNA)
where:
Base-Base interactions energy: -1014.655
where: short stacking energy: -433.731
Base-Backbone interact. energy: 0.276
local terms energy: -514.845255
where:
bonds (distance) C4'-P energy: -105.832
bonds (distance) P-C4' energy: -103.328
flat angles C4'-P-C4' energy: -108.928
flat angles P-C4'-P energy: -66.649
tors. eta vs tors. theta energy: -130.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1396.100027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.100027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.100027 (E_RNA)
where:
Base-Base interactions energy: -914.685
where: short stacking energy: -418.399
Base-Backbone interact. energy: -0.827
local terms energy: -480.588461
where:
bonds (distance) C4'-P energy: -104.228
bonds (distance) P-C4' energy: -102.532
flat angles C4'-P-C4' energy: -92.597
flat angles P-C4'-P energy: -67.732
tors. eta vs tors. theta energy: -113.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1282.611912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.611912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.611912 (E_RNA)
where:
Base-Base interactions energy: -847.573
where: short stacking energy: -374.527
Base-Backbone interact. energy: 0.322
local terms energy: -435.361342
where:
bonds (distance) C4'-P energy: -76.546
bonds (distance) P-C4' energy: -93.012
flat angles C4'-P-C4' energy: -104.063
flat angles P-C4'-P energy: -62.394
tors. eta vs tors. theta energy: -99.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1099.481825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.481825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.481825 (E_RNA)
where:
Base-Base interactions energy: -689.397
where: short stacking energy: -320.505
Base-Backbone interact. energy: 0.414
local terms energy: -410.498512
where:
bonds (distance) C4'-P energy: -79.858
bonds (distance) P-C4' energy: -102.316
flat angles C4'-P-C4' energy: -92.748
flat angles P-C4'-P energy: -56.803
tors. eta vs tors. theta energy: -78.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -888.178443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.178443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.178443 (E_RNA)
where:
Base-Base interactions energy: -524.250
where: short stacking energy: -248.382
Base-Backbone interact. energy: 0.776
local terms energy: -364.704619
where:
bonds (distance) C4'-P energy: -84.474
bonds (distance) P-C4' energy: -91.254
flat angles C4'-P-C4' energy: -88.037
flat angles P-C4'-P energy: -50.806
tors. eta vs tors. theta energy: -50.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -901.178812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.178812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.178812 (E_RNA)
where:
Base-Base interactions energy: -557.357
where: short stacking energy: -251.790
Base-Backbone interact. energy: -2.150
local terms energy: -341.671535
where:
bonds (distance) C4'-P energy: -66.550
bonds (distance) P-C4' energy: -83.619
flat angles C4'-P-C4' energy: -83.451
flat angles P-C4'-P energy: -51.873
tors. eta vs tors. theta energy: -56.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -728.947715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.947715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.947715 (E_RNA)
where:
Base-Base interactions energy: -401.260
where: short stacking energy: -178.303
Base-Backbone interact. energy: -0.121
local terms energy: -327.566649
where:
bonds (distance) C4'-P energy: -85.972
bonds (distance) P-C4' energy: -89.803
flat angles C4'-P-C4' energy: -97.696
flat angles P-C4'-P energy: -46.494
tors. eta vs tors. theta energy: -7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -520.032604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.032604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.032604 (E_RNA)
where:
Base-Base interactions energy: -240.190
where: short stacking energy: -134.333
Base-Backbone interact. energy: 0.318
local terms energy: -280.159820
where:
bonds (distance) C4'-P energy: -77.336
bonds (distance) P-C4' energy: -91.589
flat angles C4'-P-C4' energy: -75.452
flat angles P-C4'-P energy: -41.800
tors. eta vs tors. theta energy: 6.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1702.010508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.010508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.010508 (E_RNA)
where:
Base-Base interactions energy: -1157.135
where: short stacking energy: -494.221
Base-Backbone interact. energy: -2.942
local terms energy: -541.933558
where:
bonds (distance) C4'-P energy: -98.630
bonds (distance) P-C4' energy: -113.124
flat angles C4'-P-C4' energy: -106.493
flat angles P-C4'-P energy: -77.446
tors. eta vs tors. theta energy: -146.241
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: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1635.950893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.950893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.950893 (E_RNA)
where:
Base-Base interactions energy: -1100.527
where: short stacking energy: -489.643
Base-Backbone interact. energy: -0.749
local terms energy: -534.674198
where:
bonds (distance) C4'-P energy: -102.213
bonds (distance) P-C4' energy: -102.068
flat angles C4'-P-C4' energy: -107.816
flat angles P-C4'-P energy: -80.419
tors. eta vs tors. theta energy: -142.158
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: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1549.040651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.040651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.040651 (E_RNA)
where:
Base-Base interactions energy: -1027.463
where: short stacking energy: -448.863
Base-Backbone interact. energy: -2.803
local terms energy: -518.774299
where:
bonds (distance) C4'-P energy: -95.700
bonds (distance) P-C4' energy: -110.023
flat angles C4'-P-C4' energy: -100.801
flat angles P-C4'-P energy: -75.943
tors. eta vs tors. theta energy: -136.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1398.361858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.361858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.361858 (E_RNA)
where:
Base-Base interactions energy: -917.049
where: short stacking energy: -420.837
Base-Backbone interact. energy: -1.491
local terms energy: -479.821349
where:
bonds (distance) C4'-P energy: -96.938
bonds (distance) P-C4' energy: -82.968
flat angles C4'-P-C4' energy: -120.909
flat angles P-C4'-P energy: -66.710
tors. eta vs tors. theta energy: -112.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1314.610910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.610910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.610910 (E_RNA)
where:
Base-Base interactions energy: -860.771
where: short stacking energy: -420.017
Base-Backbone interact. energy: -1.674
local terms energy: -452.166696
where:
bonds (distance) C4'-P energy: -76.976
bonds (distance) P-C4' energy: -97.581
flat angles C4'-P-C4' energy: -103.785
flat angles P-C4'-P energy: -60.375
tors. eta vs tors. theta energy: -113.450
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: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1170.328663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.328663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.328663 (E_RNA)
where:
Base-Base interactions energy: -735.190
where: short stacking energy: -340.230
Base-Backbone interact. energy: -0.231
local terms energy: -434.908575
where:
bonds (distance) C4'-P energy: -84.817
bonds (distance) P-C4' energy: -94.127
flat angles C4'-P-C4' energy: -110.951
flat angles P-C4'-P energy: -58.709
tors. eta vs tors. theta energy: -86.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -872.792696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.792696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.792696 (E_RNA)
where:
Base-Base interactions energy: -516.023
where: short stacking energy: -280.378
Base-Backbone interact. energy: 0.332
local terms energy: -357.102171
where:
bonds (distance) C4'-P energy: -73.223
bonds (distance) P-C4' energy: -86.464
flat angles C4'-P-C4' energy: -94.388
flat angles P-C4'-P energy: -55.301
tors. eta vs tors. theta energy: -47.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -869.408702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.408702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.408702 (E_RNA)
where:
Base-Base interactions energy: -522.788
where: short stacking energy: -238.301
Base-Backbone interact. energy: -1.030
local terms energy: -345.590023
where:
bonds (distance) C4'-P energy: -86.969
bonds (distance) P-C4' energy: -84.214
flat angles C4'-P-C4' energy: -80.381
flat angles P-C4'-P energy: -65.291
tors. eta vs tors. theta energy: -28.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -788.127464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.127464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.127464 (E_RNA)
where:
Base-Base interactions energy: -468.086
where: short stacking energy: -208.853
Base-Backbone interact. energy: -0.241
local terms energy: -319.800389
where:
bonds (distance) C4'-P energy: -80.847
bonds (distance) P-C4' energy: -75.579
flat angles C4'-P-C4' energy: -86.764
flat angles P-C4'-P energy: -59.258
tors. eta vs tors. theta energy: -17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -546.689225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.689225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.689225 (E_RNA)
where:
Base-Base interactions energy: -257.390
where: short stacking energy: -153.113
Base-Backbone interact. energy: -3.819
local terms energy: -285.480194
where:
bonds (distance) C4'-P energy: -73.010
bonds (distance) P-C4' energy: -79.282
flat angles C4'-P-C4' energy: -80.259
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1698.982167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.982167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.982167 (E_RNA)
where:
Base-Base interactions energy: -1159.287
where: short stacking energy: -485.952
Base-Backbone interact. energy: -5.032
local terms energy: -534.662923
where:
bonds (distance) C4'-P energy: -93.405
bonds (distance) P-C4' energy: -108.111
flat angles C4'-P-C4' energy: -123.393
flat angles P-C4'-P energy: -79.732
tors. eta vs tors. theta energy: -130.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1641.089894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.089894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.089894 (E_RNA)
where:
Base-Base interactions energy: -1103.466
where: short stacking energy: -479.799
Base-Backbone interact. energy: -1.631
local terms energy: -535.992679
where:
bonds (distance) C4'-P energy: -105.765
bonds (distance) P-C4' energy: -105.691
flat angles C4'-P-C4' energy: -113.697
flat angles P-C4'-P energy: -71.141
tors. eta vs tors. theta energy: -139.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1561.859488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.859488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.859488 (E_RNA)
where:
Base-Base interactions energy: -1048.886
where: short stacking energy: -451.375
Base-Backbone interact. energy: -2.634
local terms energy: -510.339011
where:
bonds (distance) C4'-P energy: -100.477
bonds (distance) P-C4' energy: -94.695
flat angles C4'-P-C4' energy: -115.283
flat angles P-C4'-P energy: -73.262
tors. eta vs tors. theta energy: -126.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1390.733431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.733431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.733431 (E_RNA)
where:
Base-Base interactions energy: -914.521
where: short stacking energy: -402.694
Base-Backbone interact. energy: -0.425
local terms energy: -475.787227
where:
bonds (distance) C4'-P energy: -101.002
bonds (distance) P-C4' energy: -91.352
flat angles C4'-P-C4' energy: -111.581
flat angles P-C4'-P energy: -65.767
tors. eta vs tors. theta energy: -106.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1164.446665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.446665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.446665 (E_RNA)
where:
Base-Base interactions energy: -748.642
where: short stacking energy: -336.254
Base-Backbone interact. energy: -0.856
local terms energy: -414.948171
where:
bonds (distance) C4'-P energy: -90.012
bonds (distance) P-C4' energy: -92.123
flat angles C4'-P-C4' energy: -83.781
flat angles P-C4'-P energy: -67.637
tors. eta vs tors. theta energy: -81.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1182.628551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.628551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.628551 (E_RNA)
where:
Base-Base interactions energy: -757.870
where: short stacking energy: -340.074
Base-Backbone interact. energy: -1.082
local terms energy: -423.677078
where:
bonds (distance) C4'-P energy: -90.360
bonds (distance) P-C4' energy: -95.556
flat angles C4'-P-C4' energy: -98.240
flat angles P-C4'-P energy: -66.821
tors. eta vs tors. theta energy: -72.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -935.357466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.357466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.357466 (E_RNA)
where:
Base-Base interactions energy: -546.001
where: short stacking energy: -259.284
Base-Backbone interact. energy: 2.145
local terms energy: -391.501670
where:
bonds (distance) C4'-P energy: -88.996
bonds (distance) P-C4' energy: -100.048
flat angles C4'-P-C4' energy: -80.043
flat angles P-C4'-P energy: -71.201
tors. eta vs tors. theta energy: -51.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -862.329939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.329939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.329939 (E_RNA)
where:
Base-Base interactions energy: -494.968
where: short stacking energy: -238.490
Base-Backbone interact. energy: -2.103
local terms energy: -365.259148
where:
bonds (distance) C4'-P energy: -70.572
bonds (distance) P-C4' energy: -100.188
flat angles C4'-P-C4' energy: -96.353
flat angles P-C4'-P energy: -57.437
tors. eta vs tors. theta energy: -40.709
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: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -846.821306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.821306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.821306 (E_RNA)
where:
Base-Base interactions energy: -518.599
where: short stacking energy: -242.958
Base-Backbone interact. energy: -2.135
local terms energy: -326.087365
where:
bonds (distance) C4'-P energy: -85.597
bonds (distance) P-C4' energy: -86.406
flat angles C4'-P-C4' energy: -88.542
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -35.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -530.522006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.522006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.522006 (E_RNA)
where:
Base-Base interactions energy: -255.053
where: short stacking energy: -153.478
Base-Backbone interact. energy: 0.592
local terms energy: -276.060740
where:
bonds (distance) C4'-P energy: -88.702
bonds (distance) P-C4' energy: -97.302
flat angles C4'-P-C4' energy: -57.053
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1722.865359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.865359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.865359 (E_RNA)
where:
Base-Base interactions energy: -1186.666
where: short stacking energy: -488.058
Base-Backbone interact. energy: -1.231
local terms energy: -534.968357
where:
bonds (distance) C4'-P energy: -99.724
bonds (distance) P-C4' energy: -104.176
flat angles C4'-P-C4' energy: -111.128
flat angles P-C4'-P energy: -73.057
tors. eta vs tors. theta energy: -146.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1648.864663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.864663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.864663 (E_RNA)
where:
Base-Base interactions energy: -1146.838
where: short stacking energy: -507.062
Base-Backbone interact. energy: -1.344
local terms energy: -500.682551
where:
bonds (distance) C4'-P energy: -90.225
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -109.288
flat angles P-C4'-P energy: -59.193
tors. eta vs tors. theta energy: -144.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1552.155594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.155594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.155594 (E_RNA)
where:
Base-Base interactions energy: -1042.470
where: short stacking energy: -454.452
Base-Backbone interact. energy: -3.415
local terms energy: -506.270061
where:
bonds (distance) C4'-P energy: -99.272
bonds (distance) P-C4' energy: -85.227
flat angles C4'-P-C4' energy: -113.612
flat angles P-C4'-P energy: -72.282
tors. eta vs tors. theta energy: -135.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1423.402097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.402097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.402097 (E_RNA)
where:
Base-Base interactions energy: -929.112
where: short stacking energy: -395.920
Base-Backbone interact. energy: -3.615
local terms energy: -490.675247
where:
bonds (distance) C4'-P energy: -101.806
bonds (distance) P-C4' energy: -89.535
flat angles C4'-P-C4' energy: -114.046
flat angles P-C4'-P energy: -61.826
tors. eta vs tors. theta energy: -123.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1197.497322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.497322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.497322 (E_RNA)
where:
Base-Base interactions energy: -747.692
where: short stacking energy: -366.711
Base-Backbone interact. energy: -2.453
local terms energy: -447.352575
where:
bonds (distance) C4'-P energy: -85.253
bonds (distance) P-C4' energy: -108.707
flat angles C4'-P-C4' energy: -105.712
flat angles P-C4'-P energy: -64.589
tors. eta vs tors. theta energy: -83.092
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: 6, replica: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1202.947701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.947701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.947701 (E_RNA)
where:
Base-Base interactions energy: -755.883
where: short stacking energy: -345.138
Base-Backbone interact. energy: 0.688
local terms energy: -447.753381
where:
bonds (distance) C4'-P energy: -88.091
bonds (distance) P-C4' energy: -103.014
flat angles C4'-P-C4' energy: -104.827
flat angles P-C4'-P energy: -62.887
tors. eta vs tors. theta energy: -88.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -963.405870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.405870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.405870 (E_RNA)
where:
Base-Base interactions energy: -585.170
where: short stacking energy: -282.519
Base-Backbone interact. energy: -1.916
local terms energy: -376.428806
where:
bonds (distance) C4'-P energy: -96.449
bonds (distance) P-C4' energy: -96.611
flat angles C4'-P-C4' energy: -79.098
flat angles P-C4'-P energy: -50.780
tors. eta vs tors. theta energy: -53.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.109 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -817.231960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.231960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.231960 (E_RNA)
where:
Base-Base interactions energy: -480.421
where: short stacking energy: -212.143
Base-Backbone interact. energy: -1.374
local terms energy: -335.436957
where:
bonds (distance) C4'-P energy: -82.254
bonds (distance) P-C4' energy: -87.401
flat angles C4'-P-C4' energy: -81.172
flat angles P-C4'-P energy: -54.818
tors. eta vs tors. theta energy: -29.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -796.846794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.846794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.846794 (E_RNA)
where:
Base-Base interactions energy: -458.728
where: short stacking energy: -252.964
Base-Backbone interact. energy: 0.176
local terms energy: -338.294906
where:
bonds (distance) C4'-P energy: -85.488
bonds (distance) P-C4' energy: -88.216
flat angles C4'-P-C4' energy: -85.358
flat angles P-C4'-P energy: -40.150
tors. eta vs tors. theta energy: -39.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -527.062184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.062184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.062184 (E_RNA)
where:
Base-Base interactions energy: -253.722
where: short stacking energy: -149.506
Base-Backbone interact. energy: -2.330
local terms energy: -271.009491
where:
bonds (distance) C4'-P energy: -88.318
bonds (distance) P-C4' energy: -84.974
flat angles C4'-P-C4' energy: -71.886
flat angles P-C4'-P energy: -32.868
tors. eta vs tors. theta energy: 7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1709.240417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.240417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.240417 (E_RNA)
where:
Base-Base interactions energy: -1168.351
where: short stacking energy: -509.454
Base-Backbone interact. energy: -0.828
local terms energy: -540.061343
where:
bonds (distance) C4'-P energy: -98.666
bonds (distance) P-C4' energy: -101.607
flat angles C4'-P-C4' energy: -114.540
flat angles P-C4'-P energy: -79.618
tors. eta vs tors. theta energy: -145.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1630.134854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.134854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.134854 (E_RNA)
where:
Base-Base interactions energy: -1114.439
where: short stacking energy: -489.017
Base-Backbone interact. energy: -0.550
local terms energy: -515.145826
where:
bonds (distance) C4'-P energy: -99.723
bonds (distance) P-C4' energy: -107.000
flat angles C4'-P-C4' energy: -108.058
flat angles P-C4'-P energy: -61.785
tors. eta vs tors. theta energy: -138.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1546.880555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.880555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.880555 (E_RNA)
where:
Base-Base interactions energy: -1035.693
where: short stacking energy: -452.346
Base-Backbone interact. energy: -1.969
local terms energy: -509.218864
where:
bonds (distance) C4'-P energy: -104.225
bonds (distance) P-C4' energy: -94.883
flat angles C4'-P-C4' energy: -110.618
flat angles P-C4'-P energy: -69.130
tors. eta vs tors. theta energy: -130.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1402.788839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.788839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.788839 (E_RNA)
where:
Base-Base interactions energy: -926.498
where: short stacking energy: -409.157
Base-Backbone interact. energy: -2.863
local terms energy: -473.428470
where:
bonds (distance) C4'-P energy: -93.810
bonds (distance) P-C4' energy: -89.615
flat angles C4'-P-C4' energy: -116.419
flat angles P-C4'-P energy: -61.164
tors. eta vs tors. theta energy: -112.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1209.809620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.809620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.809620 (E_RNA)
where:
Base-Base interactions energy: -753.340
where: short stacking energy: -348.805
Base-Backbone interact. energy: -1.678
local terms energy: -454.791049
where:
bonds (distance) C4'-P energy: -85.729
bonds (distance) P-C4' energy: -103.144
flat angles C4'-P-C4' energy: -102.920
flat angles P-C4'-P energy: -65.528
tors. eta vs tors. theta energy: -97.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1178.686328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.686328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.686328 (E_RNA)
where:
Base-Base interactions energy: -757.421
where: short stacking energy: -348.743
Base-Backbone interact. energy: 0.655
local terms energy: -421.920280
where:
bonds (distance) C4'-P energy: -85.731
bonds (distance) P-C4' energy: -93.571
flat angles C4'-P-C4' energy: -86.283
flat angles P-C4'-P energy: -64.835
tors. eta vs tors. theta energy: -91.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -981.019920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.019920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.019920 (E_RNA)
where:
Base-Base interactions energy: -591.014
where: short stacking energy: -296.517
Base-Backbone interact. energy: 2.243
local terms energy: -392.249316
where:
bonds (distance) C4'-P energy: -78.536
bonds (distance) P-C4' energy: -88.686
flat angles C4'-P-C4' energy: -98.724
flat angles P-C4'-P energy: -53.316
tors. eta vs tors. theta energy: -72.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -916.686968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.686968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.686968 (E_RNA)
where:
Base-Base interactions energy: -578.844
where: short stacking energy: -290.445
Base-Backbone interact. energy: -0.127
local terms energy: -337.715614
where:
bonds (distance) C4'-P energy: -76.688
bonds (distance) P-C4' energy: -77.742
flat angles C4'-P-C4' energy: -83.765
flat angles P-C4'-P energy: -59.546
tors. eta vs tors. theta energy: -39.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -764.253746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.253746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.253746 (E_RNA)
where:
Base-Base interactions energy: -438.417
where: short stacking energy: -211.073
Base-Backbone interact. energy: -0.868
local terms energy: -324.968853
where:
bonds (distance) C4'-P energy: -65.935
bonds (distance) P-C4' energy: -89.375
flat angles C4'-P-C4' energy: -91.489
flat angles P-C4'-P energy: -51.891
tors. eta vs tors. theta energy: -26.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -504.835885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.835885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.835885 (E_RNA)
where:
Base-Base interactions energy: -240.773
where: short stacking energy: -152.489
Base-Backbone interact. energy: 1.123
local terms energy: -265.186039
where:
bonds (distance) C4'-P energy: -69.077
bonds (distance) P-C4' energy: -79.612
flat angles C4'-P-C4' energy: -59.126
flat angles P-C4'-P energy: -53.903
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1729.249691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.249691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.249691 (E_RNA)
where:
Base-Base interactions energy: -1172.380
where: short stacking energy: -482.579
Base-Backbone interact. energy: 0.487
local terms energy: -557.357281
where:
bonds (distance) C4'-P energy: -108.865
bonds (distance) P-C4' energy: -104.908
flat angles C4'-P-C4' energy: -124.704
flat angles P-C4'-P energy: -82.101
tors. eta vs tors. theta energy: -136.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1669.701920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.701920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.701920 (E_RNA)
where:
Base-Base interactions energy: -1155.560
where: short stacking energy: -474.073
Base-Backbone interact. energy: -1.295
local terms energy: -512.846904
where:
bonds (distance) C4'-P energy: -80.551
bonds (distance) P-C4' energy: -111.181
flat angles C4'-P-C4' energy: -107.330
flat angles P-C4'-P energy: -78.509
tors. eta vs tors. theta energy: -135.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1557.725868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.725868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.725868 (E_RNA)
where:
Base-Base interactions energy: -1057.332
where: short stacking energy: -449.551
Base-Backbone interact. energy: -3.209
local terms energy: -497.185471
where:
bonds (distance) C4'-P energy: -92.840
bonds (distance) P-C4' energy: -108.358
flat angles C4'-P-C4' energy: -109.281
flat angles P-C4'-P energy: -70.743
tors. eta vs tors. theta energy: -115.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1387.719037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.719037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.719037 (E_RNA)
where:
Base-Base interactions energy: -950.864
where: short stacking energy: -420.702
Base-Backbone interact. energy: -0.825
local terms energy: -436.029847
where:
bonds (distance) C4'-P energy: -81.851
bonds (distance) P-C4' energy: -92.732
flat angles C4'-P-C4' energy: -99.215
flat angles P-C4'-P energy: -67.195
tors. eta vs tors. theta energy: -95.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1188.210317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.210317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.210317 (E_RNA)
where:
Base-Base interactions energy: -760.281
where: short stacking energy: -337.688
Base-Backbone interact. energy: -1.790
local terms energy: -426.139359
where:
bonds (distance) C4'-P energy: -91.656
bonds (distance) P-C4' energy: -87.498
flat angles C4'-P-C4' energy: -100.286
flat angles P-C4'-P energy: -66.761
tors. eta vs tors. theta energy: -79.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1130.758176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.758176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.758176 (E_RNA)
where:
Base-Base interactions energy: -709.137
where: short stacking energy: -335.054
Base-Backbone interact. energy: -3.046
local terms energy: -418.574845
where:
bonds (distance) C4'-P energy: -84.402
bonds (distance) P-C4' energy: -94.930
flat angles C4'-P-C4' energy: -97.588
flat angles P-C4'-P energy: -63.971
tors. eta vs tors. theta energy: -77.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -976.839144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.839144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.839144 (E_RNA)
where:
Base-Base interactions energy: -601.218
where: short stacking energy: -286.505
Base-Backbone interact. energy: -2.448
local terms energy: -373.173118
where:
bonds (distance) C4'-P energy: -90.918
bonds (distance) P-C4' energy: -90.694
flat angles C4'-P-C4' energy: -79.417
flat angles P-C4'-P energy: -59.355
tors. eta vs tors. theta energy: -52.789
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: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -929.874508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.874508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.874508 (E_RNA)
where:
Base-Base interactions energy: -555.831
where: short stacking energy: -265.256
Base-Backbone interact. energy: -0.115
local terms energy: -373.928343
where:
bonds (distance) C4'-P energy: -95.124
bonds (distance) P-C4' energy: -79.274
flat angles C4'-P-C4' energy: -74.592
flat angles P-C4'-P energy: -65.973
tors. eta vs tors. theta energy: -58.965
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: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -720.306648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.306648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.306648 (E_RNA)
where:
Base-Base interactions energy: -402.911
where: short stacking energy: -217.739
Base-Backbone interact. energy: -0.342
local terms energy: -317.053761
where:
bonds (distance) C4'-P energy: -62.229
bonds (distance) P-C4' energy: -76.554
flat angles C4'-P-C4' energy: -92.638
flat angles P-C4'-P energy: -58.398
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -499.612273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.612273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.612273 (E_RNA)
where:
Base-Base interactions energy: -217.561
where: short stacking energy: -139.280
Base-Backbone interact. energy: -0.462
local terms energy: -281.589240
where:
bonds (distance) C4'-P energy: -88.746
bonds (distance) P-C4' energy: -78.122
flat angles C4'-P-C4' energy: -65.732
flat angles P-C4'-P energy: -61.665
tors. eta vs tors. theta energy: 12.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1743.152362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.152362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.152362 (E_RNA)
where:
Base-Base interactions energy: -1196.985
where: short stacking energy: -513.335
Base-Backbone interact. energy: -3.557
local terms energy: -542.609670
where:
bonds (distance) C4'-P energy: -93.067
bonds (distance) P-C4' energy: -111.037
flat angles C4'-P-C4' energy: -118.655
flat angles P-C4'-P energy: -76.024
tors. eta vs tors. theta energy: -143.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1682.695694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.695694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.695694 (E_RNA)
where:
Base-Base interactions energy: -1148.004
where: short stacking energy: -490.957
Base-Backbone interact. energy: -2.873
local terms energy: -531.818705
where:
bonds (distance) C4'-P energy: -98.145
bonds (distance) P-C4' energy: -102.879
flat angles C4'-P-C4' energy: -116.406
flat angles P-C4'-P energy: -67.651
tors. eta vs tors. theta energy: -146.738
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: 3, replica: 6
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1545.839684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.839684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.839684 (E_RNA)
where:
Base-Base interactions energy: -1046.670
where: short stacking energy: -442.563
Base-Backbone interact. energy: -1.202
local terms energy: -497.968097
where:
bonds (distance) C4'-P energy: -98.537
bonds (distance) P-C4' energy: -98.676
flat angles C4'-P-C4' energy: -104.482
flat angles P-C4'-P energy: -70.831
tors. eta vs tors. theta energy: -125.442
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: 196
Temperature: 1.050000
Total energy: -1408.741215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.741215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.741215 (E_RNA)
where:
Base-Base interactions energy: -951.707
where: short stacking energy: -397.115
Base-Backbone interact. energy: -1.299
local terms energy: -455.735547
where:
bonds (distance) C4'-P energy: -86.622
bonds (distance) P-C4' energy: -97.941
flat angles C4'-P-C4' energy: -100.576
flat angles P-C4'-P energy: -60.014
tors. eta vs tors. theta energy: -110.582
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: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1201.892126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.892126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.892126 (E_RNA)
where:
Base-Base interactions energy: -769.899
where: short stacking energy: -377.559
Base-Backbone interact. energy: -0.138
local terms energy: -431.854676
where:
bonds (distance) C4'-P energy: -103.809
bonds (distance) P-C4' energy: -87.768
flat angles C4'-P-C4' energy: -93.493
flat angles P-C4'-P energy: -48.332
tors. eta vs tors. theta energy: -98.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1172.946605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.946605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.946605 (E_RNA)
where:
Base-Base interactions energy: -779.129
where: short stacking energy: -360.130
Base-Backbone interact. energy: -1.607
local terms energy: -392.210563
where:
bonds (distance) C4'-P energy: -80.750
bonds (distance) P-C4' energy: -88.634
flat angles C4'-P-C4' energy: -95.474
flat angles P-C4'-P energy: -49.146
tors. eta vs tors. theta energy: -78.206
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: 7, replica: 2
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1056.315139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.315139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.315139 (E_RNA)
where:
Base-Base interactions energy: -643.797
where: short stacking energy: -309.430
Base-Backbone interact. energy: -2.889
local terms energy: -409.628796
where:
bonds (distance) C4'-P energy: -81.643
bonds (distance) P-C4' energy: -93.107
flat angles C4'-P-C4' energy: -94.273
flat angles P-C4'-P energy: -55.427
tors. eta vs tors. theta energy: -85.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -931.380511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.380511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.380511 (E_RNA)
where:
Base-Base interactions energy: -569.633
where: short stacking energy: -262.148
Base-Backbone interact. energy: -0.587
local terms energy: -361.160241
where:
bonds (distance) C4'-P energy: -84.925
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -81.481
flat angles P-C4'-P energy: -62.001
tors. eta vs tors. theta energy: -46.624
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: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -767.184546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.184546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.184546 (E_RNA)
where:
Base-Base interactions energy: -458.893
where: short stacking energy: -228.069
Base-Backbone interact. energy: -2.377
local terms energy: -305.914520
where:
bonds (distance) C4'-P energy: -83.262
bonds (distance) P-C4' energy: -82.910
flat angles C4'-P-C4' energy: -77.146
flat angles P-C4'-P energy: -45.154
tors. eta vs tors. theta energy: -17.443
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: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -524.867801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.867801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.867801 (E_RNA)
where:
Base-Base interactions energy: -232.469
where: short stacking energy: -143.181
Base-Backbone interact. energy: 2.950
local terms energy: -295.349176
where:
bonds (distance) C4'-P energy: -88.828
bonds (distance) P-C4' energy: -98.370
flat angles C4'-P-C4' energy: -61.111
flat angles P-C4'-P energy: -48.288
tors. eta vs tors. theta energy: 1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1724.791543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.791543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.791543 (E_RNA)
where:
Base-Base interactions energy: -1182.347
where: short stacking energy: -507.131
Base-Backbone interact. energy: -1.341
local terms energy: -541.103129
where:
bonds (distance) C4'-P energy: -97.589
bonds (distance) P-C4' energy: -112.129
flat angles C4'-P-C4' energy: -109.922
flat angles P-C4'-P energy: -77.860
tors. eta vs tors. theta energy: -143.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1675.094494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.094494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.094494 (E_RNA)
where:
Base-Base interactions energy: -1138.520
where: short stacking energy: -504.173
Base-Backbone interact. energy: -0.174
local terms energy: -536.400490
where:
bonds (distance) C4'-P energy: -89.858
bonds (distance) P-C4' energy: -100.453
flat angles C4'-P-C4' energy: -117.590
flat angles P-C4'-P energy: -75.801
tors. eta vs tors. theta energy: -152.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1542.451023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.451023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.451023 (E_RNA)
where:
Base-Base interactions energy: -1055.073
where: short stacking energy: -444.211
Base-Backbone interact. energy: -1.214
local terms energy: -486.163244
where:
bonds (distance) C4'-P energy: -93.822
bonds (distance) P-C4' energy: -95.166
flat angles C4'-P-C4' energy: -100.773
flat angles P-C4'-P energy: -68.828
tors. eta vs tors. theta energy: -127.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1439.316262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.316262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.316262 (E_RNA)
where:
Base-Base interactions energy: -984.574
where: short stacking energy: -418.359
Base-Backbone interact. energy: -0.156
local terms energy: -454.586528
where:
bonds (distance) C4'-P energy: -86.038
bonds (distance) P-C4' energy: -83.330
flat angles C4'-P-C4' energy: -98.988
flat angles P-C4'-P energy: -67.690
tors. eta vs tors. theta energy: -118.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1231.492078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.492078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.492078 (E_RNA)
where:
Base-Base interactions energy: -768.567
where: short stacking energy: -381.793
Base-Backbone interact. energy: -1.269
local terms energy: -461.655592
where:
bonds (distance) C4'-P energy: -88.967
bonds (distance) P-C4' energy: -100.988
flat angles C4'-P-C4' energy: -101.030
flat angles P-C4'-P energy: -60.281
tors. eta vs tors. theta energy: -110.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1151.992487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.992487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.992487 (E_RNA)
where:
Base-Base interactions energy: -746.256
where: short stacking energy: -335.546
Base-Backbone interact. energy: -4.382
local terms energy: -401.354307
where:
bonds (distance) C4'-P energy: -82.845
bonds (distance) P-C4' energy: -94.022
flat angles C4'-P-C4' energy: -106.624
flat angles P-C4'-P energy: -56.345
tors. eta vs tors. theta energy: -61.519
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: 2
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1049.663254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.663254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.663254 (E_RNA)
where:
Base-Base interactions energy: -674.946
where: short stacking energy: -306.299
Base-Backbone interact. energy: -2.331
local terms energy: -372.385962
where:
bonds (distance) C4'-P energy: -80.088
bonds (distance) P-C4' energy: -88.944
flat angles C4'-P-C4' energy: -87.943
flat angles P-C4'-P energy: -57.552
tors. eta vs tors. theta energy: -57.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -955.176799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.176799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.176799 (E_RNA)
where:
Base-Base interactions energy: -580.754
where: short stacking energy: -269.495
Base-Backbone interact. energy: 0.358
local terms energy: -374.780699
where:
bonds (distance) C4'-P energy: -83.244
bonds (distance) P-C4' energy: -97.514
flat angles C4'-P-C4' energy: -88.885
flat angles P-C4'-P energy: -60.187
tors. eta vs tors. theta energy: -44.951
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: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -700.399094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.399094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.399094 (E_RNA)
where:
Base-Base interactions energy: -401.771
where: short stacking energy: -208.434
Base-Backbone interact. energy: -2.363
local terms energy: -296.265425
where:
bonds (distance) C4'-P energy: -83.145
bonds (distance) P-C4' energy: -83.923
flat angles C4'-P-C4' energy: -57.876
flat angles P-C4'-P energy: -57.169
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -532.611867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.611867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.611867 (E_RNA)
where:
Base-Base interactions energy: -268.873
where: short stacking energy: -170.719
Base-Backbone interact. energy: 2.629
local terms energy: -266.367564
where:
bonds (distance) C4'-P energy: -75.649
bonds (distance) P-C4' energy: -81.459
flat angles C4'-P-C4' energy: -70.245
flat angles P-C4'-P energy: -36.165
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1704.587483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.587483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.587483 (E_RNA)
where:
Base-Base interactions energy: -1171.436
where: short stacking energy: -504.059
Base-Backbone interact. energy: -3.216
local terms energy: -529.935437
where:
bonds (distance) C4'-P energy: -102.335
bonds (distance) P-C4' energy: -97.762
flat angles C4'-P-C4' energy: -112.138
flat angles P-C4'-P energy: -78.277
tors. eta vs tors. theta energy: -139.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1688.319676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.319676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.319676 (E_RNA)
where:
Base-Base interactions energy: -1157.788
where: short stacking energy: -509.771
Base-Backbone interact. energy: 0.180
local terms energy: -530.712146
where:
bonds (distance) C4'-P energy: -96.144
bonds (distance) P-C4' energy: -87.909
flat angles C4'-P-C4' energy: -125.399
flat angles P-C4'-P energy: -62.996
tors. eta vs tors. theta energy: -158.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1529.049108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.049108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.049108 (E_RNA)
where:
Base-Base interactions energy: -1048.172
where: short stacking energy: -410.540
Base-Backbone interact. energy: 0.326
local terms energy: -481.202970
where:
bonds (distance) C4'-P energy: -91.361
bonds (distance) P-C4' energy: -99.272
flat angles C4'-P-C4' energy: -96.927
flat angles P-C4'-P energy: -79.808
tors. eta vs tors. theta energy: -113.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1459.761711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.761711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.761711 (E_RNA)
where:
Base-Base interactions energy: -992.420
where: short stacking energy: -444.729
Base-Backbone interact. energy: -1.898
local terms energy: -465.443025
where:
bonds (distance) C4'-P energy: -79.843
bonds (distance) P-C4' energy: -87.961
flat angles C4'-P-C4' energy: -113.482
flat angles P-C4'-P energy: -56.742
tors. eta vs tors. theta energy: -127.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1218.764746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.764746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.764746 (E_RNA)
where:
Base-Base interactions energy: -802.565
where: short stacking energy: -360.142
Base-Backbone interact. energy: -2.655
local terms energy: -413.543827
where:
bonds (distance) C4'-P energy: -95.172
bonds (distance) P-C4' energy: -78.022
flat angles C4'-P-C4' energy: -95.726
flat angles P-C4'-P energy: -54.740
tors. eta vs tors. theta energy: -89.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1157.447824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.447824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.447824 (E_RNA)
where:
Base-Base interactions energy: -762.703
where: short stacking energy: -369.460
Base-Backbone interact. energy: -2.029
local terms energy: -392.715486
where:
bonds (distance) C4'-P energy: -93.597
bonds (distance) P-C4' energy: -80.958
flat angles C4'-P-C4' energy: -79.017
flat angles P-C4'-P energy: -63.733
tors. eta vs tors. theta energy: -75.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1131.806353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.806353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.806353 (E_RNA)
where:
Base-Base interactions energy: -726.312
where: short stacking energy: -304.339
Base-Backbone interact. energy: -2.106
local terms energy: -403.452872
where:
bonds (distance) C4'-P energy: -87.392
bonds (distance) P-C4' energy: -93.329
flat angles C4'-P-C4' energy: -90.953
flat angles P-C4'-P energy: -62.457
tors. eta vs tors. theta energy: -69.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.065 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -887.495810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.495810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.495810 (E_RNA)
where:
Base-Base interactions energy: -564.318
where: short stacking energy: -240.613
Base-Backbone interact. energy: 3.656
local terms energy: -326.833395
where:
bonds (distance) C4'-P energy: -69.068
bonds (distance) P-C4' energy: -86.550
flat angles C4'-P-C4' energy: -76.306
flat angles P-C4'-P energy: -63.079
tors. eta vs tors. theta energy: -31.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -705.586219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.586219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.586219 (E_RNA)
where:
Base-Base interactions energy: -377.515
where: short stacking energy: -199.702
Base-Backbone interact. energy: 1.458
local terms energy: -329.529678
where:
bonds (distance) C4'-P energy: -94.690
bonds (distance) P-C4' energy: -86.818
flat angles C4'-P-C4' energy: -76.260
flat angles P-C4'-P energy: -46.464
tors. eta vs tors. theta energy: -25.298
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: 10, replica: 4
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -555.541896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.541896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.541896 (E_RNA)
where:
Base-Base interactions energy: -255.070
where: short stacking energy: -154.573
Base-Backbone interact. energy: 7.402
local terms energy: -307.874013
where:
bonds (distance) C4'-P energy: -80.307
bonds (distance) P-C4' energy: -94.156
flat angles C4'-P-C4' energy: -71.832
flat angles P-C4'-P energy: -48.562
tors. eta vs tors. theta energy: -13.017
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: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1691.725342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.725342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.725342 (E_RNA)
where:
Base-Base interactions energy: -1185.674
where: short stacking energy: -509.330
Base-Backbone interact. energy: -0.541
local terms energy: -505.510056
where:
bonds (distance) C4'-P energy: -98.620
bonds (distance) P-C4' energy: -99.453
flat angles C4'-P-C4' energy: -106.213
flat angles P-C4'-P energy: -62.240
tors. eta vs tors. theta energy: -138.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1664.989884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.989884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.989884 (E_RNA)
where:
Base-Base interactions energy: -1119.854
where: short stacking energy: -481.449
Base-Backbone interact. energy: 1.243
local terms energy: -546.378616
where:
bonds (distance) C4'-P energy: -90.952
bonds (distance) P-C4' energy: -111.328
flat angles C4'-P-C4' energy: -114.326
flat angles P-C4'-P energy: -76.951
tors. eta vs tors. theta energy: -152.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1540.001976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.001976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.001976 (E_RNA)
where:
Base-Base interactions energy: -1074.545
where: short stacking energy: -443.259
Base-Backbone interact. energy: -3.631
local terms energy: -461.826151
where:
bonds (distance) C4'-P energy: -97.728
bonds (distance) P-C4' energy: -75.499
flat angles C4'-P-C4' energy: -99.070
flat angles P-C4'-P energy: -59.480
tors. eta vs tors. theta energy: -130.049
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: 4, replica: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1463.841031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.841031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.841031 (E_RNA)
where:
Base-Base interactions energy: -994.931
where: short stacking energy: -401.494
Base-Backbone interact. energy: -2.150
local terms energy: -466.760420
where:
bonds (distance) C4'-P energy: -94.484
bonds (distance) P-C4' energy: -100.178
flat angles C4'-P-C4' energy: -98.454
flat angles P-C4'-P energy: -61.194
tors. eta vs tors. theta energy: -112.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1255.424912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.424912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.424912 (E_RNA)
where:
Base-Base interactions energy: -804.667
where: short stacking energy: -370.255
Base-Backbone interact. energy: -0.382
local terms energy: -450.375726
where:
bonds (distance) C4'-P energy: -99.506
bonds (distance) P-C4' energy: -99.645
flat angles C4'-P-C4' energy: -96.269
flat angles P-C4'-P energy: -52.738
tors. eta vs tors. theta energy: -102.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1104.526057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.526057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.526057 (E_RNA)
where:
Base-Base interactions energy: -696.912
where: short stacking energy: -330.827
Base-Backbone interact. energy: 2.815
local terms energy: -410.429625
where:
bonds (distance) C4'-P energy: -100.469
bonds (distance) P-C4' energy: -94.705
flat angles C4'-P-C4' energy: -85.851
flat angles P-C4'-P energy: -52.321
tors. eta vs tors. theta energy: -77.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1121.188767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.188767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.188767 (E_RNA)
where:
Base-Base interactions energy: -708.710
where: short stacking energy: -321.796
Base-Backbone interact. energy: -2.185
local terms energy: -410.293094
where:
bonds (distance) C4'-P energy: -94.592
bonds (distance) P-C4' energy: -82.546
flat angles C4'-P-C4' energy: -98.871
flat angles P-C4'-P energy: -63.382
tors. eta vs tors. theta energy: -70.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -886.047728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.047728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.047728 (E_RNA)
where:
Base-Base interactions energy: -549.029
where: short stacking energy: -263.324
Base-Backbone interact. energy: -0.288
local terms energy: -336.730423
where:
bonds (distance) C4'-P energy: -86.925
bonds (distance) P-C4' energy: -86.968
flat angles C4'-P-C4' energy: -76.109
flat angles P-C4'-P energy: -37.021
tors. eta vs tors. theta energy: -49.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -677.518752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.518752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.518752 (E_RNA)
where:
Base-Base interactions energy: -358.837
where: short stacking energy: -186.543
Base-Backbone interact. energy: 1.281
local terms energy: -319.963590
where:
bonds (distance) C4'-P energy: -80.852
bonds (distance) P-C4' energy: -88.825
flat angles C4'-P-C4' energy: -83.333
flat angles P-C4'-P energy: -49.053
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -587.411279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.411279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.411279 (E_RNA)
where:
Base-Base interactions energy: -310.264
where: short stacking energy: -167.743
Base-Backbone interact. energy: 2.772
local terms energy: -279.919372
where:
bonds (distance) C4'-P energy: -83.354
bonds (distance) P-C4' energy: -87.790
flat angles C4'-P-C4' energy: -71.815
flat angles P-C4'-P energy: -41.175
tors. eta vs tors. theta energy: 4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1731.250162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.250162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.250162 (E_RNA)
where:
Base-Base interactions energy: -1185.842
where: short stacking energy: -501.916
Base-Backbone interact. energy: 2.795
local terms energy: -548.202458
where:
bonds (distance) C4'-P energy: -108.071
bonds (distance) P-C4' energy: -107.768
flat angles C4'-P-C4' energy: -119.429
flat angles P-C4'-P energy: -71.225
tors. eta vs tors. theta energy: -141.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1650.022274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.022274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.022274 (E_RNA)
where:
Base-Base interactions energy: -1138.450
where: short stacking energy: -483.340
Base-Backbone interact. energy: -0.239
local terms energy: -511.333114
where:
bonds (distance) C4'-P energy: -96.134
bonds (distance) P-C4' energy: -106.101
flat angles C4'-P-C4' energy: -97.797
flat angles P-C4'-P energy: -74.721
tors. eta vs tors. theta energy: -136.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1552.078894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.078894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.078894 (E_RNA)
where:
Base-Base interactions energy: -1037.394
where: short stacking energy: -430.391
Base-Backbone interact. energy: -0.318
local terms energy: -514.367024
where:
bonds (distance) C4'-P energy: -101.487
bonds (distance) P-C4' energy: -102.225
flat angles C4'-P-C4' energy: -110.677
flat angles P-C4'-P energy: -69.296
tors. eta vs tors. theta energy: -130.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1461.218752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.218752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.218752 (E_RNA)
where:
Base-Base interactions energy: -987.263
where: short stacking energy: -414.446
Base-Backbone interact. energy: -2.956
local terms energy: -470.998994
where:
bonds (distance) C4'-P energy: -95.215
bonds (distance) P-C4' energy: -89.468
flat angles C4'-P-C4' energy: -106.514
flat angles P-C4'-P energy: -70.066
tors. eta vs tors. theta energy: -109.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1255.221899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.221899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.221899 (E_RNA)
where:
Base-Base interactions energy: -788.638
where: short stacking energy: -377.344
Base-Backbone interact. energy: 2.048
local terms energy: -468.631734
where:
bonds (distance) C4'-P energy: -96.003
bonds (distance) P-C4' energy: -91.505
flat angles C4'-P-C4' energy: -92.355
flat angles P-C4'-P energy: -68.714
tors. eta vs tors. theta energy: -120.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1052.195206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.195206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.195206 (E_RNA)
where:
Base-Base interactions energy: -652.402
where: short stacking energy: -314.387
Base-Backbone interact. energy: 0.089
local terms energy: -399.882209
where:
bonds (distance) C4'-P energy: -70.334
bonds (distance) P-C4' energy: -98.237
flat angles C4'-P-C4' energy: -101.698
flat angles P-C4'-P energy: -61.552
tors. eta vs tors. theta energy: -68.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1069.425449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.425449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.425449 (E_RNA)
where:
Base-Base interactions energy: -703.470
where: short stacking energy: -308.164
Base-Backbone interact. energy: -2.545
local terms energy: -363.410581
where:
bonds (distance) C4'-P energy: -77.245
bonds (distance) P-C4' energy: -95.085
flat angles C4'-P-C4' energy: -66.422
flat angles P-C4'-P energy: -62.618
tors. eta vs tors. theta energy: -62.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -862.515254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.515254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.515254 (E_RNA)
where:
Base-Base interactions energy: -527.564
where: short stacking energy: -241.740
Base-Backbone interact. energy: -0.883
local terms energy: -334.068624
where:
bonds (distance) C4'-P energy: -85.209
bonds (distance) P-C4' energy: -87.170
flat angles C4'-P-C4' energy: -80.836
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -35.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -717.365221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.365221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.365221 (E_RNA)
where:
Base-Base interactions energy: -388.494
where: short stacking energy: -201.428
Base-Backbone interact. energy: -0.199
local terms energy: -328.671585
where:
bonds (distance) C4'-P energy: -85.849
bonds (distance) P-C4' energy: -106.588
flat angles C4'-P-C4' energy: -84.408
flat angles P-C4'-P energy: -36.429
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -531.641111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.641111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.641111 (E_RNA)
where:
Base-Base interactions energy: -280.694
where: short stacking energy: -141.853
Base-Backbone interact. energy: 8.176
local terms energy: -259.123904
where:
bonds (distance) C4'-P energy: -63.064
bonds (distance) P-C4' energy: -98.814
flat angles C4'-P-C4' energy: -63.458
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: 3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1713.562795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.562795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.562795 (E_RNA)
where:
Base-Base interactions energy: -1165.731
where: short stacking energy: -503.595
Base-Backbone interact. energy: -1.730
local terms energy: -546.101410
where:
bonds (distance) C4'-P energy: -98.854
bonds (distance) P-C4' energy: -111.711
flat angles C4'-P-C4' energy: -117.290
flat angles P-C4'-P energy: -68.019
tors. eta vs tors. theta energy: -150.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1683.486880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.486880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.486880 (E_RNA)
where:
Base-Base interactions energy: -1131.217
where: short stacking energy: -487.161
Base-Backbone interact. energy: -1.995
local terms energy: -550.274401
where:
bonds (distance) C4'-P energy: -108.439
bonds (distance) P-C4' energy: -106.343
flat angles C4'-P-C4' energy: -111.214
flat angles P-C4'-P energy: -75.470
tors. eta vs tors. theta energy: -148.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1557.265838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.265838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.265838 (E_RNA)
where:
Base-Base interactions energy: -1048.660
where: short stacking energy: -461.856
Base-Backbone interact. energy: -2.906
local terms energy: -505.700059
where:
bonds (distance) C4'-P energy: -95.028
bonds (distance) P-C4' energy: -101.527
flat angles C4'-P-C4' energy: -112.307
flat angles P-C4'-P energy: -68.944
tors. eta vs tors. theta energy: -127.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1443.724401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.724401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.724401 (E_RNA)
where:
Base-Base interactions energy: -941.143
where: short stacking energy: -416.250
Base-Backbone interact. energy: -1.579
local terms energy: -501.003094
where:
bonds (distance) C4'-P energy: -86.316
bonds (distance) P-C4' energy: -110.203
flat angles C4'-P-C4' energy: -102.020
flat angles P-C4'-P energy: -77.114
tors. eta vs tors. theta energy: -125.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1215.089394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.089394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.089394 (E_RNA)
where:
Base-Base interactions energy: -774.563
where: short stacking energy: -364.338
Base-Backbone interact. energy: -1.602
local terms energy: -438.924552
where:
bonds (distance) C4'-P energy: -85.132
bonds (distance) P-C4' energy: -113.620
flat angles C4'-P-C4' energy: -89.095
flat angles P-C4'-P energy: -62.982
tors. eta vs tors. theta energy: -88.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1154.837399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.837399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.837399 (E_RNA)
where:
Base-Base interactions energy: -724.648
where: short stacking energy: -335.161
Base-Backbone interact. energy: 1.255
local terms energy: -431.444854
where:
bonds (distance) C4'-P energy: -85.008
bonds (distance) P-C4' energy: -98.052
flat angles C4'-P-C4' energy: -101.868
flat angles P-C4'-P energy: -59.097
tors. eta vs tors. theta energy: -87.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1056.395577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.395577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.395577 (E_RNA)
where:
Base-Base interactions energy: -665.339
where: short stacking energy: -330.328
Base-Backbone interact. energy: -0.743
local terms energy: -390.313161
where:
bonds (distance) C4'-P energy: -83.746
bonds (distance) P-C4' energy: -97.953
flat angles C4'-P-C4' energy: -80.876
flat angles P-C4'-P energy: -51.871
tors. eta vs tors. theta energy: -75.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -911.766284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.766284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.766284 (E_RNA)
where:
Base-Base interactions energy: -541.037
where: short stacking energy: -261.688
Base-Backbone interact. energy: -1.126
local terms energy: -369.602928
where:
bonds (distance) C4'-P energy: -95.975
bonds (distance) P-C4' energy: -86.098
flat angles C4'-P-C4' energy: -99.274
flat angles P-C4'-P energy: -35.662
tors. eta vs tors. theta energy: -52.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -733.157807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.157807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.157807 (E_RNA)
where:
Base-Base interactions energy: -398.819
where: short stacking energy: -215.755
Base-Backbone interact. energy: 0.974
local terms energy: -335.312570
where:
bonds (distance) C4'-P energy: -73.881
bonds (distance) P-C4' energy: -98.523
flat angles C4'-P-C4' energy: -80.823
flat angles P-C4'-P energy: -40.502
tors. eta vs tors. theta energy: -41.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -553.329046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.329046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.329046 (E_RNA)
where:
Base-Base interactions energy: -297.698
where: short stacking energy: -188.506
Base-Backbone interact. energy: 5.596
local terms energy: -261.226779
where:
bonds (distance) C4'-P energy: -57.627
bonds (distance) P-C4' energy: -96.879
flat angles C4'-P-C4' energy: -67.321
flat angles P-C4'-P energy: -29.517
tors. eta vs tors. theta energy: -9.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1725.000660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.000660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.000660 (E_RNA)
where:
Base-Base interactions energy: -1195.801
where: short stacking energy: -492.313
Base-Backbone interact. energy: -1.352
local terms energy: -527.848234
where:
bonds (distance) C4'-P energy: -109.095
bonds (distance) P-C4' energy: -107.435
flat angles C4'-P-C4' energy: -113.103
flat angles P-C4'-P energy: -62.545
tors. eta vs tors. theta energy: -135.670
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: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1689.609635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.609635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.609635 (E_RNA)
where:
Base-Base interactions energy: -1156.749
where: short stacking energy: -495.581
Base-Backbone interact. energy: -2.477
local terms energy: -530.383954
where:
bonds (distance) C4'-P energy: -89.230
bonds (distance) P-C4' energy: -95.286
flat angles C4'-P-C4' energy: -114.951
flat angles P-C4'-P energy: -83.587
tors. eta vs tors. theta energy: -147.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1552.904836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.904836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.904836 (E_RNA)
where:
Base-Base interactions energy: -1028.158
where: short stacking energy: -450.214
Base-Backbone interact. energy: -2.716
local terms energy: -522.031105
where:
bonds (distance) C4'-P energy: -98.659
bonds (distance) P-C4' energy: -109.557
flat angles C4'-P-C4' energy: -105.012
flat angles P-C4'-P energy: -74.693
tors. eta vs tors. theta energy: -134.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1438.603395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.603395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.603395 (E_RNA)
where:
Base-Base interactions energy: -948.924
where: short stacking energy: -415.455
Base-Backbone interact. energy: 0.999
local terms energy: -490.678266
where:
bonds (distance) C4'-P energy: -100.082
bonds (distance) P-C4' energy: -90.403
flat angles C4'-P-C4' energy: -115.445
flat angles P-C4'-P energy: -68.598
tors. eta vs tors. theta energy: -116.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1212.498833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.498833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.498833 (E_RNA)
where:
Base-Base interactions energy: -785.079
where: short stacking energy: -363.200
Base-Backbone interact. energy: 1.846
local terms energy: -429.265986
where:
bonds (distance) C4'-P energy: -101.310
bonds (distance) P-C4' energy: -98.668
flat angles C4'-P-C4' energy: -86.361
flat angles P-C4'-P energy: -57.242
tors. eta vs tors. theta energy: -85.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1172.193701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.193701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.193701 (E_RNA)
where:
Base-Base interactions energy: -770.058
where: short stacking energy: -361.771
Base-Backbone interact. energy: -1.251
local terms energy: -400.885151
where:
bonds (distance) C4'-P energy: -74.859
bonds (distance) P-C4' energy: -88.711
flat angles C4'-P-C4' energy: -101.088
flat angles P-C4'-P energy: -51.808
tors. eta vs tors. theta energy: -84.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1007.383169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.383169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.383169 (E_RNA)
where:
Base-Base interactions energy: -630.036
where: short stacking energy: -306.368
Base-Backbone interact. energy: -0.229
local terms energy: -377.118968
where:
bonds (distance) C4'-P energy: -66.351
bonds (distance) P-C4' energy: -91.403
flat angles C4'-P-C4' energy: -90.843
flat angles P-C4'-P energy: -52.439
tors. eta vs tors. theta energy: -76.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -909.380962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.380962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.380962 (E_RNA)
where:
Base-Base interactions energy: -549.629
where: short stacking energy: -263.679
Base-Backbone interact. energy: 0.011
local terms energy: -359.762954
where:
bonds (distance) C4'-P energy: -84.432
bonds (distance) P-C4' energy: -94.134
flat angles C4'-P-C4' energy: -76.107
flat angles P-C4'-P energy: -45.570
tors. eta vs tors. theta energy: -59.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -690.130062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.130062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.130062 (E_RNA)
where:
Base-Base interactions energy: -371.327
where: short stacking energy: -177.987
Base-Backbone interact. energy: -4.180
local terms energy: -314.622157
where:
bonds (distance) C4'-P energy: -74.941
bonds (distance) P-C4' energy: -95.957
flat angles C4'-P-C4' energy: -81.986
flat angles P-C4'-P energy: -51.461
tors. eta vs tors. theta energy: -10.277
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: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -538.515747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.515747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.515747 (E_RNA)
where:
Base-Base interactions energy: -246.711
where: short stacking energy: -153.455
Base-Backbone interact. energy: 3.142
local terms energy: -294.946741
where:
bonds (distance) C4'-P energy: -83.239
bonds (distance) P-C4' energy: -79.462
flat angles C4'-P-C4' energy: -83.042
flat angles P-C4'-P energy: -50.650
tors. eta vs tors. theta energy: 1.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1700.388298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.388298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.388298 (E_RNA)
where:
Base-Base interactions energy: -1169.583
where: short stacking energy: -488.763
Base-Backbone interact. energy: -1.078
local terms energy: -529.727069
where:
bonds (distance) C4'-P energy: -99.115
bonds (distance) P-C4' energy: -95.052
flat angles C4'-P-C4' energy: -119.155
flat angles P-C4'-P energy: -75.858
tors. eta vs tors. theta energy: -140.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1638.174053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.174053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.174053 (E_RNA)
where:
Base-Base interactions energy: -1124.055
where: short stacking energy: -478.401
Base-Backbone interact. energy: -0.632
local terms energy: -513.486610
where:
bonds (distance) C4'-P energy: -95.785
bonds (distance) P-C4' energy: -95.683
flat angles C4'-P-C4' energy: -115.255
flat angles P-C4'-P energy: -69.999
tors. eta vs tors. theta energy: -136.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1542.117741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.117741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.117741 (E_RNA)
where:
Base-Base interactions energy: -1031.943
where: short stacking energy: -456.108
Base-Backbone interact. energy: -1.692
local terms energy: -508.482585
where:
bonds (distance) C4'-P energy: -81.491
bonds (distance) P-C4' energy: -98.427
flat angles C4'-P-C4' energy: -112.281
flat angles P-C4'-P energy: -75.609
tors. eta vs tors. theta energy: -140.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1453.399135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.399135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.399135 (E_RNA)
where:
Base-Base interactions energy: -953.686
where: short stacking energy: -421.599
Base-Backbone interact. energy: -1.278
local terms energy: -498.435509
where:
bonds (distance) C4'-P energy: -107.595
bonds (distance) P-C4' energy: -95.227
flat angles C4'-P-C4' energy: -104.565
flat angles P-C4'-P energy: -70.133
tors. eta vs tors. theta energy: -120.916
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: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1245.678291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.678291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.678291 (E_RNA)
where:
Base-Base interactions energy: -796.666
where: short stacking energy: -373.133
Base-Backbone interact. energy: -0.468
local terms energy: -448.543486
where:
bonds (distance) C4'-P energy: -100.997
bonds (distance) P-C4' energy: -82.195
flat angles C4'-P-C4' energy: -104.040
flat angles P-C4'-P energy: -69.326
tors. eta vs tors. theta energy: -91.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1191.161827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.161827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.161827 (E_RNA)
where:
Base-Base interactions energy: -760.189
where: short stacking energy: -347.537
Base-Backbone interact. energy: -2.898
local terms energy: -428.074619
where:
bonds (distance) C4'-P energy: -92.688
bonds (distance) P-C4' energy: -90.203
flat angles C4'-P-C4' energy: -107.966
flat angles P-C4'-P energy: -54.976
tors. eta vs tors. theta energy: -82.242
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: 203
Temperature: 1.200000
Total energy: -1013.989906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.989906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.989906 (E_RNA)
where:
Base-Base interactions energy: -640.188
where: short stacking energy: -293.811
Base-Backbone interact. energy: -1.493
local terms energy: -372.308628
where:
bonds (distance) C4'-P energy: -85.919
bonds (distance) P-C4' energy: -86.645
flat angles C4'-P-C4' energy: -91.056
flat angles P-C4'-P energy: -48.470
tors. eta vs tors. theta energy: -60.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -916.157877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.157877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.157877 (E_RNA)
where:
Base-Base interactions energy: -564.774
where: short stacking energy: -269.439
Base-Backbone interact. energy: 2.114
local terms energy: -353.498601
where:
bonds (distance) C4'-P energy: -74.481
bonds (distance) P-C4' energy: -84.964
flat angles C4'-P-C4' energy: -85.837
flat angles P-C4'-P energy: -61.244
tors. eta vs tors. theta energy: -46.973
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: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -714.421641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.421641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.421641 (E_RNA)
where:
Base-Base interactions energy: -398.828
where: short stacking energy: -214.348
Base-Backbone interact. energy: 2.214
local terms energy: -317.807616
where:
bonds (distance) C4'-P energy: -77.279
bonds (distance) P-C4' energy: -76.092
flat angles C4'-P-C4' energy: -89.399
flat angles P-C4'-P energy: -44.918
tors. eta vs tors. theta energy: -30.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -525.870694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.870694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.870694 (E_RNA)
where:
Base-Base interactions energy: -250.675
where: short stacking energy: -151.368
Base-Backbone interact. energy: 5.926
local terms energy: -281.122190
where:
bonds (distance) C4'-P energy: -91.067
bonds (distance) P-C4' energy: -74.996
flat angles C4'-P-C4' energy: -74.579
flat angles P-C4'-P energy: -49.231
tors. eta vs tors. theta energy: 8.751
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: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1678.175199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.175199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.175199 (E_RNA)
where:
Base-Base interactions energy: -1134.172
where: short stacking energy: -481.558
Base-Backbone interact. energy: -2.465
local terms energy: -541.539140
where:
bonds (distance) C4'-P energy: -109.694
bonds (distance) P-C4' energy: -98.140
flat angles C4'-P-C4' energy: -116.005
flat angles P-C4'-P energy: -73.911
tors. eta vs tors. theta energy: -143.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1698.503043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.503043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.503043 (E_RNA)
where:
Base-Base interactions energy: -1176.625
where: short stacking energy: -487.268
Base-Backbone interact. energy: 0.871
local terms energy: -522.748535
where:
bonds (distance) C4'-P energy: -86.578
bonds (distance) P-C4' energy: -107.112
flat angles C4'-P-C4' energy: -114.397
flat angles P-C4'-P energy: -74.878
tors. eta vs tors. theta energy: -139.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1522.121771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.121771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.121771 (E_RNA)
where:
Base-Base interactions energy: -1018.360
where: short stacking energy: -440.277
Base-Backbone interact. energy: -3.517
local terms energy: -500.244335
where:
bonds (distance) C4'-P energy: -90.559
bonds (distance) P-C4' energy: -105.473
flat angles C4'-P-C4' energy: -99.640
flat angles P-C4'-P energy: -78.036
tors. eta vs tors. theta energy: -126.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1348.169924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.169924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.169924 (E_RNA)
where:
Base-Base interactions energy: -873.048
where: short stacking energy: -385.016
Base-Backbone interact. energy: -0.761
local terms energy: -474.361193
where:
bonds (distance) C4'-P energy: -109.383
bonds (distance) P-C4' energy: -96.879
flat angles C4'-P-C4' energy: -94.451
flat angles P-C4'-P energy: -68.936
tors. eta vs tors. theta energy: -104.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1253.909601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.909601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.909601 (E_RNA)
where:
Base-Base interactions energy: -818.950
where: short stacking energy: -364.411
Base-Backbone interact. energy: 0.661
local terms energy: -435.620698
where:
bonds (distance) C4'-P energy: -93.550
bonds (distance) P-C4' energy: -102.108
flat angles C4'-P-C4' energy: -92.250
flat angles P-C4'-P energy: -58.929
tors. eta vs tors. theta energy: -88.783
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: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1259.342058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.342058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.342058 (E_RNA)
where:
Base-Base interactions energy: -834.410
where: short stacking energy: -363.232
Base-Backbone interact. energy: -1.271
local terms energy: -423.661130
where:
bonds (distance) C4'-P energy: -85.732
bonds (distance) P-C4' energy: -88.884
flat angles C4'-P-C4' energy: -93.574
flat angles P-C4'-P energy: -67.226
tors. eta vs tors. theta energy: -88.245
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: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -985.895806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.895806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.895806 (E_RNA)
where:
Base-Base interactions energy: -625.768
where: short stacking energy: -287.513
Base-Backbone interact. energy: 0.482
local terms energy: -360.609383
where:
bonds (distance) C4'-P energy: -91.035
bonds (distance) P-C4' energy: -75.212
flat angles C4'-P-C4' energy: -93.062
flat angles P-C4'-P energy: -57.467
tors. eta vs tors. theta energy: -43.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -860.636842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.636842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.636842 (E_RNA)
where:
Base-Base interactions energy: -533.228
where: short stacking energy: -256.418
Base-Backbone interact. energy: -1.235
local terms energy: -326.173727
where:
bonds (distance) C4'-P energy: -93.287
bonds (distance) P-C4' energy: -68.372
flat angles C4'-P-C4' energy: -80.426
flat angles P-C4'-P energy: -41.508
tors. eta vs tors. theta energy: -42.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -716.226227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.226227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.226227 (E_RNA)
where:
Base-Base interactions energy: -418.876
where: short stacking energy: -222.131
Base-Backbone interact. energy: 4.159
local terms energy: -301.510089
where:
bonds (distance) C4'-P energy: -87.851
bonds (distance) P-C4' energy: -81.723
flat angles C4'-P-C4' energy: -68.860
flat angles P-C4'-P energy: -46.686
tors. eta vs tors. theta energy: -16.391
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: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -509.107147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.107147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.107147 (E_RNA)
where:
Base-Base interactions energy: -261.751
where: short stacking energy: -130.960
Base-Backbone interact. energy: -1.399
local terms energy: -245.956776
where:
bonds (distance) C4'-P energy: -76.474
bonds (distance) P-C4' energy: -72.292
flat angles C4'-P-C4' energy: -64.821
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: 9.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1672.513005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.513005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.513005 (E_RNA)
where:
Base-Base interactions energy: -1120.525
where: short stacking energy: -484.293
Base-Backbone interact. energy: -1.756
local terms energy: -550.232555
where:
bonds (distance) C4'-P energy: -102.644
bonds (distance) P-C4' energy: -105.896
flat angles C4'-P-C4' energy: -123.622
flat angles P-C4'-P energy: -83.028
tors. eta vs tors. theta energy: -135.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1706.330224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.330224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.330224 (E_RNA)
where:
Base-Base interactions energy: -1165.076
where: short stacking energy: -483.017
Base-Backbone interact. energy: -4.006
local terms energy: -537.247976
where:
bonds (distance) C4'-P energy: -89.337
bonds (distance) P-C4' energy: -109.275
flat angles C4'-P-C4' energy: -115.623
flat angles P-C4'-P energy: -76.324
tors. eta vs tors. theta energy: -146.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1539.833992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.833992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.833992 (E_RNA)
where:
Base-Base interactions energy: -1039.487
where: short stacking energy: -451.947
Base-Backbone interact. energy: 2.580
local terms energy: -502.927287
where:
bonds (distance) C4'-P energy: -102.539
bonds (distance) P-C4' energy: -105.485
flat angles C4'-P-C4' energy: -105.198
flat angles P-C4'-P energy: -54.870
tors. eta vs tors. theta energy: -134.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1387.529802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.529802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.529802 (E_RNA)
where:
Base-Base interactions energy: -923.313
where: short stacking energy: -419.777
Base-Backbone interact. energy: 0.524
local terms energy: -464.740333
where:
bonds (distance) C4'-P energy: -62.001
bonds (distance) P-C4' energy: -105.450
flat angles C4'-P-C4' energy: -96.148
flat angles P-C4'-P energy: -72.509
tors. eta vs tors. theta energy: -128.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1324.668805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.668805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.668805 (E_RNA)
where:
Base-Base interactions energy: -857.510
where: short stacking energy: -381.391
Base-Backbone interact. energy: -1.039
local terms energy: -466.119186
where:
bonds (distance) C4'-P energy: -91.800
bonds (distance) P-C4' energy: -90.850
flat angles C4'-P-C4' energy: -105.667
flat angles P-C4'-P energy: -64.305
tors. eta vs tors. theta energy: -113.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1242.330653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.330653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.330653 (E_RNA)
where:
Base-Base interactions energy: -800.699
where: short stacking energy: -361.166
Base-Backbone interact. energy: -1.659
local terms energy: -439.973350
where:
bonds (distance) C4'-P energy: -81.698
bonds (distance) P-C4' energy: -93.643
flat angles C4'-P-C4' energy: -106.248
flat angles P-C4'-P energy: -58.215
tors. eta vs tors. theta energy: -100.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1059.664141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.664141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.664141 (E_RNA)
where:
Base-Base interactions energy: -689.912
where: short stacking energy: -320.923
Base-Backbone interact. energy: 1.957
local terms energy: -371.709322
where:
bonds (distance) C4'-P energy: -78.505
bonds (distance) P-C4' energy: -86.055
flat angles C4'-P-C4' energy: -69.652
flat angles P-C4'-P energy: -64.666
tors. eta vs tors. theta energy: -72.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -834.998808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.998808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.998808 (E_RNA)
where:
Base-Base interactions energy: -519.114
where: short stacking energy: -253.378
Base-Backbone interact. energy: -0.666
local terms energy: -315.218447
where:
bonds (distance) C4'-P energy: -86.607
bonds (distance) P-C4' energy: -76.700
flat angles C4'-P-C4' energy: -77.144
flat angles P-C4'-P energy: -41.145
tors. eta vs tors. theta energy: -33.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -674.362382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.362382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.362382 (E_RNA)
where:
Base-Base interactions energy: -344.095
where: short stacking energy: -180.924
Base-Backbone interact. energy: -2.292
local terms energy: -327.975355
where:
bonds (distance) C4'-P energy: -72.132
bonds (distance) P-C4' energy: -89.869
flat angles C4'-P-C4' energy: -93.307
flat angles P-C4'-P energy: -45.947
tors. eta vs tors. theta energy: -26.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -535.324970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.324970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.324970 (E_RNA)
where:
Base-Base interactions energy: -249.810
where: short stacking energy: -132.517
Base-Backbone interact. energy: -1.581
local terms energy: -283.934250
where:
bonds (distance) C4'-P energy: -78.437
bonds (distance) P-C4' energy: -84.327
flat angles C4'-P-C4' energy: -86.256
flat angles P-C4'-P energy: -28.656
tors. eta vs tors. theta energy: -6.258
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: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1725.725326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.725326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.725326 (E_RNA)
where:
Base-Base interactions energy: -1188.871
where: short stacking energy: -479.274
Base-Backbone interact. energy: -2.555
local terms energy: -534.299598
where:
bonds (distance) C4'-P energy: -104.819
bonds (distance) P-C4' energy: -97.998
flat angles C4'-P-C4' energy: -113.184
flat angles P-C4'-P energy: -77.251
tors. eta vs tors. theta energy: -141.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1634.306819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.306819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.306819 (E_RNA)
where:
Base-Base interactions energy: -1079.851
where: short stacking energy: -472.736
Base-Backbone interact. energy: -2.521
local terms energy: -551.934593
where:
bonds (distance) C4'-P energy: -110.049
bonds (distance) P-C4' energy: -106.017
flat angles C4'-P-C4' energy: -121.521
flat angles P-C4'-P energy: -65.235
tors. eta vs tors. theta energy: -149.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1495.767358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.767358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.767358 (E_RNA)
where:
Base-Base interactions energy: -1002.881
where: short stacking energy: -423.764
Base-Backbone interact. energy: -1.640
local terms energy: -491.245942
where:
bonds (distance) C4'-P energy: -86.445
bonds (distance) P-C4' energy: -99.752
flat angles C4'-P-C4' energy: -100.548
flat angles P-C4'-P energy: -71.513
tors. eta vs tors. theta energy: -132.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1353.199365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.199365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.199365 (E_RNA)
where:
Base-Base interactions energy: -895.278
where: short stacking energy: -420.867
Base-Backbone interact. energy: -0.857
local terms energy: -457.063760
where:
bonds (distance) C4'-P energy: -94.832
bonds (distance) P-C4' energy: -89.775
flat angles C4'-P-C4' energy: -92.590
flat angles P-C4'-P energy: -64.027
tors. eta vs tors. theta energy: -115.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1354.989673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.989673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.989673 (E_RNA)
where:
Base-Base interactions energy: -892.714
where: short stacking energy: -394.698
Base-Backbone interact. energy: -1.574
local terms energy: -460.701942
where:
bonds (distance) C4'-P energy: -77.665
bonds (distance) P-C4' energy: -112.481
flat angles C4'-P-C4' energy: -95.247
flat angles P-C4'-P energy: -54.142
tors. eta vs tors. theta energy: -121.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1279.285563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.285563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.285563 (E_RNA)
where:
Base-Base interactions energy: -844.093
where: short stacking energy: -373.814
Base-Backbone interact. energy: -1.228
local terms energy: -433.965202
where:
bonds (distance) C4'-P energy: -85.748
bonds (distance) P-C4' energy: -91.238
flat angles C4'-P-C4' energy: -98.933
flat angles P-C4'-P energy: -64.786
tors. eta vs tors. theta energy: -93.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1043.207588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.207588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.207588 (E_RNA)
where:
Base-Base interactions energy: -646.193
where: short stacking energy: -306.649
Base-Backbone interact. energy: -0.065
local terms energy: -396.950111
where:
bonds (distance) C4'-P energy: -78.840
bonds (distance) P-C4' energy: -93.214
flat angles C4'-P-C4' energy: -84.992
flat angles P-C4'-P energy: -60.352
tors. eta vs tors. theta energy: -79.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -829.864696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.864696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.864696 (E_RNA)
where:
Base-Base interactions energy: -490.145
where: short stacking energy: -244.192
Base-Backbone interact. energy: 0.174
local terms energy: -339.893663
where:
bonds (distance) C4'-P energy: -85.914
bonds (distance) P-C4' energy: -103.554
flat angles C4'-P-C4' energy: -73.597
flat angles P-C4'-P energy: -35.305
tors. eta vs tors. theta energy: -41.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -688.179318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.179318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.179318 (E_RNA)
where:
Base-Base interactions energy: -375.155
where: short stacking energy: -194.672
Base-Backbone interact. energy: -1.405
local terms energy: -311.619974
where:
bonds (distance) C4'-P energy: -74.734
bonds (distance) P-C4' energy: -87.836
flat angles C4'-P-C4' energy: -79.352
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -24.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -513.526830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.526830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.526830 (E_RNA)
where:
Base-Base interactions energy: -225.704
where: short stacking energy: -132.492
Base-Backbone interact. energy: -1.423
local terms energy: -286.400491
where:
bonds (distance) C4'-P energy: -94.104
bonds (distance) P-C4' energy: -94.054
flat angles C4'-P-C4' energy: -74.502
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: 5.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1713.973918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.973918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.973918 (E_RNA)
where:
Base-Base interactions energy: -1165.401
where: short stacking energy: -480.880
Base-Backbone interact. energy: 0.779
local terms energy: -549.352413
where:
bonds (distance) C4'-P energy: -94.916
bonds (distance) P-C4' energy: -108.825
flat angles C4'-P-C4' energy: -118.077
flat angles P-C4'-P energy: -88.819
tors. eta vs tors. theta energy: -138.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1640.821228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.821228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.821228 (E_RNA)
where:
Base-Base interactions energy: -1117.701
where: short stacking energy: -470.332
Base-Backbone interact. energy: -2.041
local terms energy: -521.079566
where:
bonds (distance) C4'-P energy: -101.010
bonds (distance) P-C4' energy: -106.179
flat angles C4'-P-C4' energy: -115.670
flat angles P-C4'-P energy: -71.308
tors. eta vs tors. theta energy: -126.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1524.325514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.325514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.325514 (E_RNA)
where:
Base-Base interactions energy: -1018.304
where: short stacking energy: -427.709
Base-Backbone interact. energy: 0.111
local terms energy: -506.132265
where:
bonds (distance) C4'-P energy: -89.694
bonds (distance) P-C4' energy: -105.292
flat angles C4'-P-C4' energy: -118.129
flat angles P-C4'-P energy: -70.725
tors. eta vs tors. theta energy: -122.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1386.447253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.447253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.447253 (E_RNA)
where:
Base-Base interactions energy: -901.128
where: short stacking energy: -410.528
Base-Backbone interact. energy: -1.338
local terms energy: -483.981259
where:
bonds (distance) C4'-P energy: -92.510
bonds (distance) P-C4' energy: -91.078
flat angles C4'-P-C4' energy: -108.176
flat angles P-C4'-P energy: -75.226
tors. eta vs tors. theta energy: -116.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1282.720526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.720526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.720526 (E_RNA)
where:
Base-Base interactions energy: -826.964
where: short stacking energy: -375.414
Base-Backbone interact. energy: -2.462
local terms energy: -453.294654
where:
bonds (distance) C4'-P energy: -94.730
bonds (distance) P-C4' energy: -89.608
flat angles C4'-P-C4' energy: -87.339
flat angles P-C4'-P energy: -66.704
tors. eta vs tors. theta energy: -114.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1282.781245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.781245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.781245 (E_RNA)
where:
Base-Base interactions energy: -813.196
where: short stacking energy: -367.174
Base-Backbone interact. energy: -0.583
local terms energy: -469.002494
where:
bonds (distance) C4'-P energy: -96.736
bonds (distance) P-C4' energy: -100.627
flat angles C4'-P-C4' energy: -110.566
flat angles P-C4'-P energy: -65.101
tors. eta vs tors. theta energy: -95.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -985.889724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.889724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.889724 (E_RNA)
where:
Base-Base interactions energy: -608.960
where: short stacking energy: -292.539
Base-Backbone interact. energy: 1.618
local terms energy: -378.547580
where:
bonds (distance) C4'-P energy: -87.187
bonds (distance) P-C4' energy: -85.792
flat angles C4'-P-C4' energy: -90.009
flat angles P-C4'-P energy: -54.745
tors. eta vs tors. theta energy: -60.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -813.282322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.282322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.282322 (E_RNA)
where:
Base-Base interactions energy: -453.753
where: short stacking energy: -226.877
Base-Backbone interact. energy: -0.950
local terms energy: -358.579111
where:
bonds (distance) C4'-P energy: -82.407
bonds (distance) P-C4' energy: -94.678
flat angles C4'-P-C4' energy: -94.169
flat angles P-C4'-P energy: -45.119
tors. eta vs tors. theta energy: -42.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -720.486777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.486777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.486777 (E_RNA)
where:
Base-Base interactions energy: -404.616
where: short stacking energy: -214.247
Base-Backbone interact. energy: -2.068
local terms energy: -313.803370
where:
bonds (distance) C4'-P energy: -77.833
bonds (distance) P-C4' energy: -80.246
flat angles C4'-P-C4' energy: -85.514
flat angles P-C4'-P energy: -35.540
tors. eta vs tors. theta energy: -34.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -469.101597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.101597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.101597 (E_RNA)
where:
Base-Base interactions energy: -208.631
where: short stacking energy: -135.688
Base-Backbone interact. energy: 1.847
local terms energy: -262.316775
where:
bonds (distance) C4'-P energy: -76.566
bonds (distance) P-C4' energy: -79.681
flat angles C4'-P-C4' energy: -76.009
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: 13.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1675.492127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.492127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.492127 (E_RNA)
where:
Base-Base interactions energy: -1150.126
where: short stacking energy: -491.372
Base-Backbone interact. energy: -1.847
local terms energy: -523.519531
where:
bonds (distance) C4'-P energy: -87.319
bonds (distance) P-C4' energy: -102.536
flat angles C4'-P-C4' energy: -118.542
flat angles P-C4'-P energy: -80.101
tors. eta vs tors. theta energy: -135.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1696.398873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.398873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.398873 (E_RNA)
where:
Base-Base interactions energy: -1184.030
where: short stacking energy: -491.352
Base-Backbone interact. energy: -0.935
local terms energy: -511.434348
where:
bonds (distance) C4'-P energy: -94.011
bonds (distance) P-C4' energy: -112.287
flat angles C4'-P-C4' energy: -105.481
flat angles P-C4'-P energy: -58.894
tors. eta vs tors. theta energy: -140.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1544.039652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.039652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.039652 (E_RNA)
where:
Base-Base interactions energy: -1020.881
where: short stacking energy: -458.406
Base-Backbone interact. energy: -2.286
local terms energy: -520.871791
where:
bonds (distance) C4'-P energy: -93.834
bonds (distance) P-C4' energy: -103.444
flat angles C4'-P-C4' energy: -110.485
flat angles P-C4'-P energy: -81.972
tors. eta vs tors. theta energy: -131.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1305.414046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.414046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.414046 (E_RNA)
where:
Base-Base interactions energy: -822.115
where: short stacking energy: -384.090
Base-Backbone interact. energy: -1.125
local terms energy: -482.174078
where:
bonds (distance) C4'-P energy: -91.984
bonds (distance) P-C4' energy: -98.760
flat angles C4'-P-C4' energy: -108.132
flat angles P-C4'-P energy: -71.145
tors. eta vs tors. theta energy: -112.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1362.862222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.862222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.862222 (E_RNA)
where:
Base-Base interactions energy: -885.855
where: short stacking energy: -404.751
Base-Backbone interact. energy: -2.672
local terms energy: -474.335057
where:
bonds (distance) C4'-P energy: -97.070
bonds (distance) P-C4' energy: -99.696
flat angles C4'-P-C4' energy: -105.801
flat angles P-C4'-P energy: -64.401
tors. eta vs tors. theta energy: -107.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1194.512993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.512993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.512993 (E_RNA)
where:
Base-Base interactions energy: -787.030
where: short stacking energy: -335.130
Base-Backbone interact. energy: -1.309
local terms energy: -406.173647
where:
bonds (distance) C4'-P energy: -89.058
bonds (distance) P-C4' energy: -72.554
flat angles C4'-P-C4' energy: -88.445
flat angles P-C4'-P energy: -65.044
tors. eta vs tors. theta energy: -91.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -930.690704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.690704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.690704 (E_RNA)
where:
Base-Base interactions energy: -566.107
where: short stacking energy: -271.762
Base-Backbone interact. energy: -1.751
local terms energy: -362.832080
where:
bonds (distance) C4'-P energy: -78.057
bonds (distance) P-C4' energy: -104.035
flat angles C4'-P-C4' energy: -85.114
flat angles P-C4'-P energy: -49.357
tors. eta vs tors. theta energy: -46.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -818.906765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.906765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.906765 (E_RNA)
where:
Base-Base interactions energy: -477.865
where: short stacking energy: -241.258
Base-Backbone interact. energy: 0.545
local terms energy: -341.586255
where:
bonds (distance) C4'-P energy: -77.918
bonds (distance) P-C4' energy: -93.175
flat angles C4'-P-C4' energy: -86.568
flat angles P-C4'-P energy: -41.733
tors. eta vs tors. theta energy: -42.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -672.088105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.088105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.088105 (E_RNA)
where:
Base-Base interactions energy: -363.366
where: short stacking energy: -197.847
Base-Backbone interact. energy: 0.616
local terms energy: -309.338067
where:
bonds (distance) C4'-P energy: -94.051
bonds (distance) P-C4' energy: -94.302
flat angles C4'-P-C4' energy: -68.194
flat angles P-C4'-P energy: -42.344
tors. eta vs tors. theta energy: -10.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -514.406023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.406023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.406023 (E_RNA)
where:
Base-Base interactions energy: -233.989
where: short stacking energy: -144.525
Base-Backbone interact. energy: 1.624
local terms energy: -282.040985
where:
bonds (distance) C4'-P energy: -82.870
bonds (distance) P-C4' energy: -72.892
flat angles C4'-P-C4' energy: -80.355
flat angles P-C4'-P energy: -49.456
tors. eta vs tors. theta energy: 3.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1667.908861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.908861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.908861 (E_RNA)
where:
Base-Base interactions energy: -1134.119
where: short stacking energy: -478.923
Base-Backbone interact. energy: -1.324
local terms energy: -532.465975
where:
bonds (distance) C4'-P energy: -111.463
bonds (distance) P-C4' energy: -103.812
flat angles C4'-P-C4' energy: -120.126
flat angles P-C4'-P energy: -65.797
tors. eta vs tors. theta energy: -131.267
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: 2, replica: 10
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1687.088276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.088276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.088276 (E_RNA)
where:
Base-Base interactions energy: -1170.472
where: short stacking energy: -503.237
Base-Backbone interact. energy: -1.567
local terms energy: -515.048970
where:
bonds (distance) C4'-P energy: -90.582
bonds (distance) P-C4' energy: -86.161
flat angles C4'-P-C4' energy: -110.636
flat angles P-C4'-P energy: -77.649
tors. eta vs tors. theta energy: -150.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1509.272994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.272994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.272994 (E_RNA)
where:
Base-Base interactions energy: -1016.716
where: short stacking energy: -441.873
Base-Backbone interact. energy: -2.386
local terms energy: -490.170420
where:
bonds (distance) C4'-P energy: -93.194
bonds (distance) P-C4' energy: -107.225
flat angles C4'-P-C4' energy: -103.438
flat angles P-C4'-P energy: -58.153
tors. eta vs tors. theta energy: -128.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1334.837055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.837055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.837055 (E_RNA)
where:
Base-Base interactions energy: -858.088
where: short stacking energy: -397.626
Base-Backbone interact. energy: -1.048
local terms energy: -475.700192
where:
bonds (distance) C4'-P energy: -84.992
bonds (distance) P-C4' energy: -96.550
flat angles C4'-P-C4' energy: -113.877
flat angles P-C4'-P energy: -77.363
tors. eta vs tors. theta energy: -102.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1331.292499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.292499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.292499 (E_RNA)
where:
Base-Base interactions energy: -868.084
where: short stacking energy: -396.437
Base-Backbone interact. energy: -1.633
local terms energy: -461.575736
where:
bonds (distance) C4'-P energy: -102.142
bonds (distance) P-C4' energy: -91.673
flat angles C4'-P-C4' energy: -95.401
flat angles P-C4'-P energy: -64.576
tors. eta vs tors. theta energy: -107.783
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: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1186.944884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.944884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.944884 (E_RNA)
where:
Base-Base interactions energy: -784.508
where: short stacking energy: -378.381
Base-Backbone interact. energy: -1.190
local terms energy: -401.246298
where:
bonds (distance) C4'-P energy: -84.051
bonds (distance) P-C4' energy: -74.447
flat angles C4'-P-C4' energy: -98.382
flat angles P-C4'-P energy: -54.535
tors. eta vs tors. theta energy: -89.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -909.099250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.099250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.099250 (E_RNA)
where:
Base-Base interactions energy: -528.121
where: short stacking energy: -251.931
Base-Backbone interact. energy: 0.341
local terms energy: -381.319308
where:
bonds (distance) C4'-P energy: -84.438
bonds (distance) P-C4' energy: -98.438
flat angles C4'-P-C4' energy: -97.834
flat angles P-C4'-P energy: -65.105
tors. eta vs tors. theta energy: -35.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -845.212121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.212121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.212121 (E_RNA)
where:
Base-Base interactions energy: -497.084
where: short stacking energy: -258.793
Base-Backbone interact. energy: -0.820
local terms energy: -347.308046
where:
bonds (distance) C4'-P energy: -88.530
bonds (distance) P-C4' energy: -86.067
flat angles C4'-P-C4' energy: -81.490
flat angles P-C4'-P energy: -52.968
tors. eta vs tors. theta energy: -38.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -685.388629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.388629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.388629 (E_RNA)
where:
Base-Base interactions energy: -389.968
where: short stacking energy: -223.458
Base-Backbone interact. energy: -1.119
local terms energy: -294.302282
where:
bonds (distance) C4'-P energy: -75.892
bonds (distance) P-C4' energy: -85.271
flat angles C4'-P-C4' energy: -67.104
flat angles P-C4'-P energy: -43.197
tors. eta vs tors. theta energy: -22.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -507.626487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.626487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.626487 (E_RNA)
where:
Base-Base interactions energy: -226.029
where: short stacking energy: -141.176
Base-Backbone interact. energy: -2.157
local terms energy: -279.440986
where:
bonds (distance) C4'-P energy: -92.744
bonds (distance) P-C4' energy: -74.523
flat angles C4'-P-C4' energy: -74.874
flat angles P-C4'-P energy: -50.113
tors. eta vs tors. theta energy: 12.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1714.847896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.847896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.847896 (E_RNA)
where:
Base-Base interactions energy: -1171.916
where: short stacking energy: -500.812
Base-Backbone interact. energy: -3.540
local terms energy: -539.391281
where:
bonds (distance) C4'-P energy: -99.459
bonds (distance) P-C4' energy: -105.240
flat angles C4'-P-C4' energy: -107.227
flat angles P-C4'-P energy: -82.673
tors. eta vs tors. theta energy: -144.792
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: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1626.117555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.117555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.117555 (E_RNA)
where:
Base-Base interactions energy: -1083.796
where: short stacking energy: -473.432
Base-Backbone interact. energy: -1.142
local terms energy: -541.179467
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -117.045
flat angles C4'-P-C4' energy: -114.833
flat angles P-C4'-P energy: -68.283
tors. eta vs tors. theta energy: -134.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1512.416381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.416381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.416381 (E_RNA)
where:
Base-Base interactions energy: -1010.106
where: short stacking energy: -437.076
Base-Backbone interact. energy: -1.694
local terms energy: -500.616711
where:
bonds (distance) C4'-P energy: -96.303
bonds (distance) P-C4' energy: -96.004
flat angles C4'-P-C4' energy: -109.703
flat angles P-C4'-P energy: -75.260
tors. eta vs tors. theta energy: -123.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1385.501418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.501418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.501418 (E_RNA)
where:
Base-Base interactions energy: -921.796
where: short stacking energy: -413.675
Base-Backbone interact. energy: -1.725
local terms energy: -461.980729
where:
bonds (distance) C4'-P energy: -94.000
bonds (distance) P-C4' energy: -93.421
flat angles C4'-P-C4' energy: -104.716
flat angles P-C4'-P energy: -74.277
tors. eta vs tors. theta energy: -95.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1338.116100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.116100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.116100 (E_RNA)
where:
Base-Base interactions energy: -873.890
where: short stacking energy: -415.070
Base-Backbone interact. energy: -1.489
local terms energy: -462.736849
where:
bonds (distance) C4'-P energy: -97.170
bonds (distance) P-C4' energy: -98.092
flat angles C4'-P-C4' energy: -102.620
flat angles P-C4'-P energy: -63.674
tors. eta vs tors. theta energy: -101.181
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: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1197.228063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.228063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.228063 (E_RNA)
where:
Base-Base interactions energy: -754.690
where: short stacking energy: -357.218
Base-Backbone interact. energy: -1.378
local terms energy: -441.159904
where:
bonds (distance) C4'-P energy: -90.946
bonds (distance) P-C4' energy: -92.955
flat angles C4'-P-C4' energy: -97.135
flat angles P-C4'-P energy: -51.802
tors. eta vs tors. theta energy: -108.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -909.368988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.368988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.368988 (E_RNA)
where:
Base-Base interactions energy: -542.993
where: short stacking energy: -249.936
Base-Backbone interact. energy: 3.149
local terms energy: -369.525545
where:
bonds (distance) C4'-P energy: -86.026
bonds (distance) P-C4' energy: -92.769
flat angles C4'-P-C4' energy: -85.757
flat angles P-C4'-P energy: -53.768
tors. eta vs tors. theta energy: -51.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -876.419765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.419765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.419765 (E_RNA)
where:
Base-Base interactions energy: -530.411
where: short stacking energy: -253.174
Base-Backbone interact. energy: 2.124
local terms energy: -348.132541
where:
bonds (distance) C4'-P energy: -88.171
bonds (distance) P-C4' energy: -78.135
flat angles C4'-P-C4' energy: -100.654
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -43.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -669.944366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.944366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.944366 (E_RNA)
where:
Base-Base interactions energy: -362.367
where: short stacking energy: -194.204
Base-Backbone interact. energy: -1.054
local terms energy: -306.523157
where:
bonds (distance) C4'-P energy: -75.866
bonds (distance) P-C4' energy: -80.807
flat angles C4'-P-C4' energy: -81.770
flat angles P-C4'-P energy: -55.151
tors. eta vs tors. theta energy: -12.929
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: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -504.939987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.939987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.939987 (E_RNA)
where:
Base-Base interactions energy: -238.592
where: short stacking energy: -124.044
Base-Backbone interact. energy: 2.952
local terms energy: -269.300255
where:
bonds (distance) C4'-P energy: -82.573
bonds (distance) P-C4' energy: -90.215
flat angles C4'-P-C4' energy: -72.114
flat angles P-C4'-P energy: -50.541
tors. eta vs tors. theta energy: 26.143
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: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1730.017434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.017434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.017434 (E_RNA)
where:
Base-Base interactions energy: -1179.392
where: short stacking energy: -491.673
Base-Backbone interact. energy: -1.087
local terms energy: -549.538920
where:
bonds (distance) C4'-P energy: -98.742
bonds (distance) P-C4' energy: -105.770
flat angles C4'-P-C4' energy: -117.110
flat angles P-C4'-P energy: -78.089
tors. eta vs tors. theta energy: -149.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1598.130184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.130184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.130184 (E_RNA)
where:
Base-Base interactions energy: -1084.789
where: short stacking energy: -474.585
Base-Backbone interact. energy: 3.879
local terms energy: -517.220526
where:
bonds (distance) C4'-P energy: -83.963
bonds (distance) P-C4' energy: -90.382
flat angles C4'-P-C4' energy: -119.370
flat angles P-C4'-P energy: -85.315
tors. eta vs tors. theta energy: -138.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1515.471901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.471901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.471901 (E_RNA)
where:
Base-Base interactions energy: -1012.347
where: short stacking energy: -463.593
Base-Backbone interact. energy: -2.135
local terms energy: -500.990129
where:
bonds (distance) C4'-P energy: -99.643
bonds (distance) P-C4' energy: -103.129
flat angles C4'-P-C4' energy: -104.670
flat angles P-C4'-P energy: -60.752
tors. eta vs tors. theta energy: -132.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1375.848941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.848941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.848941 (E_RNA)
where:
Base-Base interactions energy: -897.250
where: short stacking energy: -429.039
Base-Backbone interact. energy: 2.332
local terms energy: -480.931343
where:
bonds (distance) C4'-P energy: -85.984
bonds (distance) P-C4' energy: -101.870
flat angles C4'-P-C4' energy: -108.230
flat angles P-C4'-P energy: -62.455
tors. eta vs tors. theta energy: -122.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1299.811334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.811334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.811334 (E_RNA)
where:
Base-Base interactions energy: -861.122
where: short stacking energy: -371.091
Base-Backbone interact. energy: -2.311
local terms energy: -436.377993
where:
bonds (distance) C4'-P energy: -94.444
bonds (distance) P-C4' energy: -95.072
flat angles C4'-P-C4' energy: -92.546
flat angles P-C4'-P energy: -57.836
tors. eta vs tors. theta energy: -96.480
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1186.515523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.515523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.515523 (E_RNA)
where:
Base-Base interactions energy: -788.951
where: short stacking energy: -353.412
Base-Backbone interact. energy: 2.462
local terms energy: -400.026978
where:
bonds (distance) C4'-P energy: -83.796
bonds (distance) P-C4' energy: -90.688
flat angles C4'-P-C4' energy: -93.678
flat angles P-C4'-P energy: -51.726
tors. eta vs tors. theta energy: -80.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -953.577204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.577204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.577204 (E_RNA)
where:
Base-Base interactions energy: -589.593
where: short stacking energy: -277.645
Base-Backbone interact. energy: -0.046
local terms energy: -363.937426
where:
bonds (distance) C4'-P energy: -86.476
bonds (distance) P-C4' energy: -90.291
flat angles C4'-P-C4' energy: -89.578
flat angles P-C4'-P energy: -43.308
tors. eta vs tors. theta energy: -54.285
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: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -815.222682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.222682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.222682 (E_RNA)
where:
Base-Base interactions energy: -497.031
where: short stacking energy: -235.212
Base-Backbone interact. energy: 3.460
local terms energy: -321.652188
where:
bonds (distance) C4'-P energy: -78.057
bonds (distance) P-C4' energy: -93.734
flat angles C4'-P-C4' energy: -64.884
flat angles P-C4'-P energy: -48.612
tors. eta vs tors. theta energy: -36.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -720.226113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.226113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.226113 (E_RNA)
where:
Base-Base interactions energy: -398.558
where: short stacking energy: -200.881
Base-Backbone interact. energy: -0.724
local terms energy: -320.943504
where:
bonds (distance) C4'-P energy: -75.069
bonds (distance) P-C4' energy: -96.197
flat angles C4'-P-C4' energy: -88.863
flat angles P-C4'-P energy: -48.832
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: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -524.698018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.698018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.698018 (E_RNA)
where:
Base-Base interactions energy: -239.034
where: short stacking energy: -135.687
Base-Backbone interact. energy: 3.664
local terms energy: -289.328472
where:
bonds (distance) C4'-P energy: -73.470
bonds (distance) P-C4' energy: -89.042
flat angles C4'-P-C4' energy: -70.771
flat angles P-C4'-P energy: -55.830
tors. eta vs tors. theta energy: -0.215
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: 10
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1731.953062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.953062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.953062 (E_RNA)
where:
Base-Base interactions energy: -1194.604
where: short stacking energy: -511.929
Base-Backbone interact. energy: -3.040
local terms energy: -534.309269
where:
bonds (distance) C4'-P energy: -105.289
bonds (distance) P-C4' energy: -94.156
flat angles C4'-P-C4' energy: -115.693
flat angles P-C4'-P energy: -64.850
tors. eta vs tors. theta energy: -154.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1629.261921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.261921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.261921 (E_RNA)
where:
Base-Base interactions energy: -1127.220
where: short stacking energy: -475.546
Base-Backbone interact. energy: -1.807
local terms energy: -500.235507
where:
bonds (distance) C4'-P energy: -97.377
bonds (distance) P-C4' energy: -104.028
flat angles C4'-P-C4' energy: -108.482
flat angles P-C4'-P energy: -64.108
tors. eta vs tors. theta energy: -126.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1548.537673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.537673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.537673 (E_RNA)
where:
Base-Base interactions energy: -1060.644
where: short stacking energy: -467.995
Base-Backbone interact. energy: -0.289
local terms energy: -487.604116
where:
bonds (distance) C4'-P energy: -86.606
bonds (distance) P-C4' energy: -85.758
flat angles C4'-P-C4' energy: -102.544
flat angles P-C4'-P energy: -81.610
tors. eta vs tors. theta energy: -131.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1428.428300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.428300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.428300 (E_RNA)
where:
Base-Base interactions energy: -929.296
where: short stacking energy: -436.316
Base-Backbone interact. energy: -0.470
local terms energy: -498.662141
where:
bonds (distance) C4'-P energy: -101.134
bonds (distance) P-C4' energy: -95.174
flat angles C4'-P-C4' energy: -109.725
flat angles P-C4'-P energy: -67.379
tors. eta vs tors. theta energy: -125.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1325.412410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.412410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.412410 (E_RNA)
where:
Base-Base interactions energy: -874.214
where: short stacking energy: -387.490
Base-Backbone interact. energy: 1.832
local terms energy: -453.030969
where:
bonds (distance) C4'-P energy: -88.960
bonds (distance) P-C4' energy: -84.837
flat angles C4'-P-C4' energy: -107.381
flat angles P-C4'-P energy: -63.006
tors. eta vs tors. theta energy: -108.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1131.059684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.059684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.059684 (E_RNA)
where:
Base-Base interactions energy: -725.393
where: short stacking energy: -334.628
Base-Backbone interact. energy: -2.030
local terms energy: -403.636615
where:
bonds (distance) C4'-P energy: -83.660
bonds (distance) P-C4' energy: -88.063
flat angles C4'-P-C4' energy: -88.999
flat angles P-C4'-P energy: -67.947
tors. eta vs tors. theta energy: -74.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -931.358954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.358954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.358954 (E_RNA)
where:
Base-Base interactions energy: -571.679
where: short stacking energy: -268.662
Base-Backbone interact. energy: 0.855
local terms energy: -360.534411
where:
bonds (distance) C4'-P energy: -89.793
bonds (distance) P-C4' energy: -90.786
flat angles C4'-P-C4' energy: -81.699
flat angles P-C4'-P energy: -50.186
tors. eta vs tors. theta energy: -48.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -849.339152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.339152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.339152 (E_RNA)
where:
Base-Base interactions energy: -505.096
where: short stacking energy: -226.040
Base-Backbone interact. energy: -1.284
local terms energy: -342.959125
where:
bonds (distance) C4'-P energy: -90.673
bonds (distance) P-C4' energy: -89.451
flat angles C4'-P-C4' energy: -80.237
flat angles P-C4'-P energy: -52.010
tors. eta vs tors. theta energy: -30.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -688.528526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.528526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.528526 (E_RNA)
where:
Base-Base interactions energy: -387.494
where: short stacking energy: -203.981
Base-Backbone interact. energy: 1.010
local terms energy: -302.043682
where:
bonds (distance) C4'-P energy: -85.123
bonds (distance) P-C4' energy: -87.030
flat angles C4'-P-C4' energy: -81.035
flat angles P-C4'-P energy: -44.318
tors. eta vs tors. theta energy: -4.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -533.845638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.845638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.845638 (E_RNA)
where:
Base-Base interactions energy: -250.045
where: short stacking energy: -141.187
Base-Backbone interact. energy: 3.522
local terms energy: -287.321847
where:
bonds (distance) C4'-P energy: -72.877
bonds (distance) P-C4' energy: -78.995
flat angles C4'-P-C4' energy: -74.150
flat angles P-C4'-P energy: -61.680
tors. eta vs tors. theta energy: 0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1734.023384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.023384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.023384 (E_RNA)
where:
Base-Base interactions energy: -1197.316
where: short stacking energy: -512.685
Base-Backbone interact. energy: -3.473
local terms energy: -533.234155
where:
bonds (distance) C4'-P energy: -96.185
bonds (distance) P-C4' energy: -98.880
flat angles C4'-P-C4' energy: -116.325
flat angles P-C4'-P energy: -73.373
tors. eta vs tors. theta energy: -148.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1617.078992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.078992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.078992 (E_RNA)
where:
Base-Base interactions energy: -1112.189
where: short stacking energy: -451.400
Base-Backbone interact. energy: -0.975
local terms energy: -503.914607
where:
bonds (distance) C4'-P energy: -88.003
bonds (distance) P-C4' energy: -99.925
flat angles C4'-P-C4' energy: -111.927
flat angles P-C4'-P energy: -77.053
tors. eta vs tors. theta energy: -127.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1558.038175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.038175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.038175 (E_RNA)
where:
Base-Base interactions energy: -1059.870
where: short stacking energy: -457.430
Base-Backbone interact. energy: 0.841
local terms energy: -499.008838
where:
bonds (distance) C4'-P energy: -94.015
bonds (distance) P-C4' energy: -93.095
flat angles C4'-P-C4' energy: -108.797
flat angles P-C4'-P energy: -74.087
tors. eta vs tors. theta energy: -129.015
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: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1412.433805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.433805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.433805 (E_RNA)
where:
Base-Base interactions energy: -942.146
where: short stacking energy: -426.054
Base-Backbone interact. energy: -0.140
local terms energy: -470.147621
where:
bonds (distance) C4'-P energy: -99.869
bonds (distance) P-C4' energy: -91.201
flat angles C4'-P-C4' energy: -101.108
flat angles P-C4'-P energy: -69.437
tors. eta vs tors. theta energy: -108.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1381.636530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.636530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.636530 (E_RNA)
where:
Base-Base interactions energy: -914.868
where: short stacking energy: -416.247
Base-Backbone interact. energy: -3.778
local terms energy: -462.990527
where:
bonds (distance) C4'-P energy: -74.058
bonds (distance) P-C4' energy: -94.602
flat angles C4'-P-C4' energy: -94.508
flat angles P-C4'-P energy: -68.775
tors. eta vs tors. theta energy: -131.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1133.323138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.323138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.323138 (E_RNA)
where:
Base-Base interactions energy: -732.557
where: short stacking energy: -333.554
Base-Backbone interact. energy: 2.096
local terms energy: -402.862109
where:
bonds (distance) C4'-P energy: -84.492
bonds (distance) P-C4' energy: -90.172
flat angles C4'-P-C4' energy: -94.370
flat angles P-C4'-P energy: -63.503
tors. eta vs tors. theta energy: -70.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -973.554832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.554832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.554832 (E_RNA)
where:
Base-Base interactions energy: -592.899
where: short stacking energy: -256.304
Base-Backbone interact. energy: -2.146
local terms energy: -378.509600
where:
bonds (distance) C4'-P energy: -96.645
bonds (distance) P-C4' energy: -95.726
flat angles C4'-P-C4' energy: -88.585
flat angles P-C4'-P energy: -60.562
tors. eta vs tors. theta energy: -36.992
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: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -881.143464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.143464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.143464 (E_RNA)
where:
Base-Base interactions energy: -519.049
where: short stacking energy: -274.416
Base-Backbone interact. energy: -2.160
local terms energy: -359.934702
where:
bonds (distance) C4'-P energy: -91.609
bonds (distance) P-C4' energy: -83.666
flat angles C4'-P-C4' energy: -91.538
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -50.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -708.613888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.613888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.613888 (E_RNA)
where:
Base-Base interactions energy: -416.184
where: short stacking energy: -214.029
Base-Backbone interact. energy: 0.456
local terms energy: -292.885992
where:
bonds (distance) C4'-P energy: -78.128
bonds (distance) P-C4' energy: -78.318
flat angles C4'-P-C4' energy: -66.191
flat angles P-C4'-P energy: -50.157
tors. eta vs tors. theta energy: -20.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -553.301187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.301187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.301187 (E_RNA)
where:
Base-Base interactions energy: -246.749
where: short stacking energy: -148.297
Base-Backbone interact. energy: -0.932
local terms energy: -305.620640
where:
bonds (distance) C4'-P energy: -82.961
bonds (distance) P-C4' energy: -90.841
flat angles C4'-P-C4' energy: -84.426
flat angles P-C4'-P energy: -47.318
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1721.698610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.698610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.698610 (E_RNA)
where:
Base-Base interactions energy: -1184.439
where: short stacking energy: -483.096
Base-Backbone interact. energy: -2.894
local terms energy: -534.365483
where:
bonds (distance) C4'-P energy: -94.806
bonds (distance) P-C4' energy: -102.667
flat angles C4'-P-C4' energy: -112.272
flat angles P-C4'-P energy: -79.231
tors. eta vs tors. theta energy: -145.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1629.793783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.793783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.793783 (E_RNA)
where:
Base-Base interactions energy: -1112.127
where: short stacking energy: -456.691
Base-Backbone interact. energy: -1.034
local terms energy: -516.632307
where:
bonds (distance) C4'-P energy: -92.054
bonds (distance) P-C4' energy: -101.031
flat angles C4'-P-C4' energy: -112.429
flat angles P-C4'-P energy: -78.689
tors. eta vs tors. theta energy: -132.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1529.583328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.583328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.583328 (E_RNA)
where:
Base-Base interactions energy: -1028.322
where: short stacking energy: -440.276
Base-Backbone interact. energy: -0.629
local terms energy: -500.632535
where:
bonds (distance) C4'-P energy: -99.914
bonds (distance) P-C4' energy: -91.811
flat angles C4'-P-C4' energy: -112.885
flat angles P-C4'-P energy: -63.363
tors. eta vs tors. theta energy: -132.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1418.277043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.277043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.277043 (E_RNA)
where:
Base-Base interactions energy: -926.393
where: short stacking energy: -426.014
Base-Backbone interact. energy: 4.528
local terms energy: -496.412197
where:
bonds (distance) C4'-P energy: -105.205
bonds (distance) P-C4' energy: -93.615
flat angles C4'-P-C4' energy: -104.868
flat angles P-C4'-P energy: -72.905
tors. eta vs tors. theta energy: -119.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1418.040959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.040959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.040959 (E_RNA)
where:
Base-Base interactions energy: -938.004
where: short stacking energy: -422.103
Base-Backbone interact. energy: -1.220
local terms energy: -478.816577
where:
bonds (distance) C4'-P energy: -98.861
bonds (distance) P-C4' energy: -103.892
flat angles C4'-P-C4' energy: -106.622
flat angles P-C4'-P energy: -48.009
tors. eta vs tors. theta energy: -121.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1156.787855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.787855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.787855 (E_RNA)
where:
Base-Base interactions energy: -724.525
where: short stacking energy: -357.878
Base-Backbone interact. energy: 0.695
local terms energy: -432.958467
where:
bonds (distance) C4'-P energy: -94.255
bonds (distance) P-C4' energy: -97.984
flat angles C4'-P-C4' energy: -101.119
flat angles P-C4'-P energy: -45.506
tors. eta vs tors. theta energy: -94.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -968.520189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.520189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.520189 (E_RNA)
where:
Base-Base interactions energy: -612.564
where: short stacking energy: -284.231
Base-Backbone interact. energy: 1.745
local terms energy: -357.701792
where:
bonds (distance) C4'-P energy: -86.448
bonds (distance) P-C4' energy: -74.310
flat angles C4'-P-C4' energy: -88.665
flat angles P-C4'-P energy: -62.637
tors. eta vs tors. theta energy: -45.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -817.372642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.372642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.372642 (E_RNA)
where:
Base-Base interactions energy: -457.773
where: short stacking energy: -246.138
Base-Backbone interact. energy: -1.569
local terms energy: -358.031278
where:
bonds (distance) C4'-P energy: -96.758
bonds (distance) P-C4' energy: -79.911
flat angles C4'-P-C4' energy: -88.667
flat angles P-C4'-P energy: -50.071
tors. eta vs tors. theta energy: -42.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -680.579016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.579016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.579016 (E_RNA)
where:
Base-Base interactions energy: -390.810
where: short stacking energy: -221.254
Base-Backbone interact. energy: -1.588
local terms energy: -288.180830
where:
bonds (distance) C4'-P energy: -81.348
bonds (distance) P-C4' energy: -95.420
flat angles C4'-P-C4' energy: -69.202
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -21.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -536.078566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.078566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.078566 (E_RNA)
where:
Base-Base interactions energy: -248.339
where: short stacking energy: -153.985
Base-Backbone interact. energy: 1.478
local terms energy: -289.217368
where:
bonds (distance) C4'-P energy: -91.336
bonds (distance) P-C4' energy: -78.157
flat angles C4'-P-C4' energy: -78.291
flat angles P-C4'-P energy: -42.094
tors. eta vs tors. theta energy: 0.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1712.143166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.143166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.143166 (E_RNA)
where:
Base-Base interactions energy: -1158.144
where: short stacking energy: -506.347
Base-Backbone interact. energy: -3.729
local terms energy: -550.269501
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -101.214
flat angles C4'-P-C4' energy: -118.081
flat angles P-C4'-P energy: -75.936
tors. eta vs tors. theta energy: -143.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1638.268730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.268730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.268730 (E_RNA)
where:
Base-Base interactions energy: -1107.035
where: short stacking energy: -459.260
Base-Backbone interact. energy: -3.885
local terms energy: -527.348812
where:
bonds (distance) C4'-P energy: -96.770
bonds (distance) P-C4' energy: -112.982
flat angles C4'-P-C4' energy: -114.540
flat angles P-C4'-P energy: -69.097
tors. eta vs tors. theta energy: -133.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1578.269023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.269023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.269023 (E_RNA)
where:
Base-Base interactions energy: -1081.490
where: short stacking energy: -477.726
Base-Backbone interact. energy: -1.401
local terms energy: -495.377689
where:
bonds (distance) C4'-P energy: -98.948
bonds (distance) P-C4' energy: -80.851
flat angles C4'-P-C4' energy: -112.916
flat angles P-C4'-P energy: -62.950
tors. eta vs tors. theta energy: -139.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1447.670213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.670213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.670213 (E_RNA)
where:
Base-Base interactions energy: -954.404
where: short stacking energy: -456.360
Base-Backbone interact. energy: -2.737
local terms energy: -490.864344
where:
bonds (distance) C4'-P energy: -89.610
bonds (distance) P-C4' energy: -92.742
flat angles C4'-P-C4' energy: -105.159
flat angles P-C4'-P energy: -68.256
tors. eta vs tors. theta energy: -135.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.336 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1401.636953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.636953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.636953 (E_RNA)
where:
Base-Base interactions energy: -913.069
where: short stacking energy: -420.152
Base-Backbone interact. energy: -1.751
local terms energy: -486.817158
where:
bonds (distance) C4'-P energy: -97.580
bonds (distance) P-C4' energy: -97.448
flat angles C4'-P-C4' energy: -105.402
flat angles P-C4'-P energy: -68.610
tors. eta vs tors. theta energy: -117.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1172.767704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.767704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.767704 (E_RNA)
where:
Base-Base interactions energy: -734.193
where: short stacking energy: -360.437
Base-Backbone interact. energy: -0.170
local terms energy: -438.404684
where:
bonds (distance) C4'-P energy: -98.858
bonds (distance) P-C4' energy: -99.624
flat angles C4'-P-C4' energy: -89.141
flat angles P-C4'-P energy: -63.078
tors. eta vs tors. theta energy: -87.704
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: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1085.664601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.664601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.664601 (E_RNA)
where:
Base-Base interactions energy: -686.495
where: short stacking energy: -328.109
Base-Backbone interact. energy: -1.179
local terms energy: -397.991016
where:
bonds (distance) C4'-P energy: -80.403
bonds (distance) P-C4' energy: -93.876
flat angles C4'-P-C4' energy: -101.391
flat angles P-C4'-P energy: -49.124
tors. eta vs tors. theta energy: -73.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -808.573896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.573896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.573896 (E_RNA)
where:
Base-Base interactions energy: -469.205
where: short stacking energy: -230.987
Base-Backbone interact. energy: 2.408
local terms energy: -341.776145
where:
bonds (distance) C4'-P energy: -71.064
bonds (distance) P-C4' energy: -94.390
flat angles C4'-P-C4' energy: -78.151
flat angles P-C4'-P energy: -59.049
tors. eta vs tors. theta energy: -39.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -748.709082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.709082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.709082 (E_RNA)
where:
Base-Base interactions energy: -438.899
where: short stacking energy: -232.624
Base-Backbone interact. energy: 4.285
local terms energy: -314.095231
where:
bonds (distance) C4'-P energy: -73.398
bonds (distance) P-C4' energy: -80.005
flat angles C4'-P-C4' energy: -88.815
flat angles P-C4'-P energy: -41.318
tors. eta vs tors. theta energy: -30.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -538.714551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.714551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.714551 (E_RNA)
where:
Base-Base interactions energy: -285.068
where: short stacking energy: -183.855
Base-Backbone interact. energy: 1.903
local terms energy: -255.550066
where:
bonds (distance) C4'-P energy: -73.234
bonds (distance) P-C4' energy: -83.855
flat angles C4'-P-C4' energy: -66.359
flat angles P-C4'-P energy: -25.566
tors. eta vs tors. theta energy: -6.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1695.840842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.840842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.840842 (E_RNA)
where:
Base-Base interactions energy: -1159.683
where: short stacking energy: -502.261
Base-Backbone interact. energy: -1.993
local terms energy: -534.165560
where:
bonds (distance) C4'-P energy: -85.292
bonds (distance) P-C4' energy: -111.512
flat angles C4'-P-C4' energy: -117.749
flat angles P-C4'-P energy: -82.691
tors. eta vs tors. theta energy: -136.922
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: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1651.704076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.704076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.704076 (E_RNA)
where:
Base-Base interactions energy: -1144.003
where: short stacking energy: -477.277
Base-Backbone interact. energy: -1.590
local terms energy: -506.111068
where:
bonds (distance) C4'-P energy: -93.912
bonds (distance) P-C4' energy: -95.882
flat angles C4'-P-C4' energy: -108.878
flat angles P-C4'-P energy: -69.609
tors. eta vs tors. theta energy: -137.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1597.561253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.561253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.561253 (E_RNA)
where:
Base-Base interactions energy: -1104.377
where: short stacking energy: -469.990
Base-Backbone interact. energy: -0.376
local terms energy: -492.808380
where:
bonds (distance) C4'-P energy: -91.616
bonds (distance) P-C4' energy: -102.675
flat angles C4'-P-C4' energy: -104.134
flat angles P-C4'-P energy: -58.181
tors. eta vs tors. theta energy: -136.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1417.414121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.414121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.414121 (E_RNA)
where:
Base-Base interactions energy: -930.926
where: short stacking energy: -424.148
Base-Backbone interact. energy: 1.154
local terms energy: -487.641775
where:
bonds (distance) C4'-P energy: -106.323
bonds (distance) P-C4' energy: -89.367
flat angles C4'-P-C4' energy: -98.211
flat angles P-C4'-P energy: -72.229
tors. eta vs tors. theta energy: -121.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1337.355116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.355116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.355116 (E_RNA)
where:
Base-Base interactions energy: -894.569
where: short stacking energy: -383.082
Base-Backbone interact. energy: -1.660
local terms energy: -441.125824
where:
bonds (distance) C4'-P energy: -82.317
bonds (distance) P-C4' energy: -100.302
flat angles C4'-P-C4' energy: -99.804
flat angles P-C4'-P energy: -56.265
tors. eta vs tors. theta energy: -102.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1159.501589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.501589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.501589 (E_RNA)
where:
Base-Base interactions energy: -738.237
where: short stacking energy: -369.526
Base-Backbone interact. energy: -0.540
local terms energy: -420.724251
where:
bonds (distance) C4'-P energy: -82.369
bonds (distance) P-C4' energy: -82.378
flat angles C4'-P-C4' energy: -100.901
flat angles P-C4'-P energy: -64.817
tors. eta vs tors. theta energy: -90.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1055.067752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.067752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.067752 (E_RNA)
where:
Base-Base interactions energy: -699.304
where: short stacking energy: -328.230
Base-Backbone interact. energy: -1.969
local terms energy: -353.794915
where:
bonds (distance) C4'-P energy: -75.185
bonds (distance) P-C4' energy: -84.473
flat angles C4'-P-C4' energy: -84.170
flat angles P-C4'-P energy: -48.289
tors. eta vs tors. theta energy: -61.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -813.579840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.579840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.579840 (E_RNA)
where:
Base-Base interactions energy: -469.277
where: short stacking energy: -247.543
Base-Backbone interact. energy: -0.504
local terms energy: -343.798076
where:
bonds (distance) C4'-P energy: -107.459
bonds (distance) P-C4' energy: -84.832
flat angles C4'-P-C4' energy: -78.249
flat angles P-C4'-P energy: -31.851
tors. eta vs tors. theta energy: -41.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -754.459028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.459028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.459028 (E_RNA)
where:
Base-Base interactions energy: -440.020
where: short stacking energy: -232.012
Base-Backbone interact. energy: 5.079
local terms energy: -319.518486
where:
bonds (distance) C4'-P energy: -63.948
bonds (distance) P-C4' energy: -83.645
flat angles C4'-P-C4' energy: -82.844
flat angles P-C4'-P energy: -46.371
tors. eta vs tors. theta energy: -42.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -578.751705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.751705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.751705 (E_RNA)
where:
Base-Base interactions energy: -285.279
where: short stacking energy: -147.598
Base-Backbone interact. energy: -0.906
local terms energy: -292.566127
where:
bonds (distance) C4'-P energy: -85.052
bonds (distance) P-C4' energy: -97.072
flat angles C4'-P-C4' energy: -66.856
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: 3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1711.337065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.337065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.337065 (E_RNA)
where:
Base-Base interactions energy: -1162.767
where: short stacking energy: -484.232
Base-Backbone interact. energy: -2.804
local terms energy: -545.766880
where:
bonds (distance) C4'-P energy: -98.648
bonds (distance) P-C4' energy: -107.090
flat angles C4'-P-C4' energy: -117.909
flat angles P-C4'-P energy: -75.716
tors. eta vs tors. theta energy: -146.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1680.752908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.752908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.752908 (E_RNA)
where:
Base-Base interactions energy: -1152.875
where: short stacking energy: -495.406
Base-Backbone interact. energy: 0.093
local terms energy: -527.970817
where:
bonds (distance) C4'-P energy: -104.709
bonds (distance) P-C4' energy: -96.696
flat angles C4'-P-C4' energy: -115.354
flat angles P-C4'-P energy: -77.789
tors. eta vs tors. theta energy: -133.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1592.584241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.584241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.584241 (E_RNA)
where:
Base-Base interactions energy: -1094.208
where: short stacking energy: -449.913
Base-Backbone interact. energy: -0.388
local terms energy: -497.988031
where:
bonds (distance) C4'-P energy: -99.887
bonds (distance) P-C4' energy: -86.758
flat angles C4'-P-C4' energy: -110.359
flat angles P-C4'-P energy: -67.413
tors. eta vs tors. theta energy: -133.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1442.710842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.710842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.710842 (E_RNA)
where:
Base-Base interactions energy: -939.485
where: short stacking energy: -424.638
Base-Backbone interact. energy: -1.781
local terms energy: -501.444393
where:
bonds (distance) C4'-P energy: -94.873
bonds (distance) P-C4' energy: -99.558
flat angles C4'-P-C4' energy: -107.273
flat angles P-C4'-P energy: -72.629
tors. eta vs tors. theta energy: -127.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1311.205015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.205015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.205015 (E_RNA)
where:
Base-Base interactions energy: -853.070
where: short stacking energy: -368.579
Base-Backbone interact. energy: -3.109
local terms energy: -455.026676
where:
bonds (distance) C4'-P energy: -101.796
bonds (distance) P-C4' energy: -90.034
flat angles C4'-P-C4' energy: -96.943
flat angles P-C4'-P energy: -68.684
tors. eta vs tors. theta energy: -97.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1120.822823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.822823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.822823 (E_RNA)
where:
Base-Base interactions energy: -709.637
where: short stacking energy: -355.170
Base-Backbone interact. energy: -1.255
local terms energy: -409.931193
where:
bonds (distance) C4'-P energy: -83.841
bonds (distance) P-C4' energy: -88.379
flat angles C4'-P-C4' energy: -98.208
flat angles P-C4'-P energy: -62.472
tors. eta vs tors. theta energy: -77.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1061.044532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.044532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.044532 (E_RNA)
where:
Base-Base interactions energy: -672.475
where: short stacking energy: -326.129
Base-Backbone interact. energy: -1.261
local terms energy: -387.308207
where:
bonds (distance) C4'-P energy: -78.837
bonds (distance) P-C4' energy: -78.794
flat angles C4'-P-C4' energy: -90.695
flat angles P-C4'-P energy: -60.047
tors. eta vs tors. theta energy: -78.936
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: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -796.158984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.158984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.158984 (E_RNA)
where:
Base-Base interactions energy: -485.583
where: short stacking energy: -223.459
Base-Backbone interact. energy: 1.331
local terms energy: -311.907455
where:
bonds (distance) C4'-P energy: -75.068
bonds (distance) P-C4' energy: -94.975
flat angles C4'-P-C4' energy: -80.316
flat angles P-C4'-P energy: -49.577
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -768.245550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.245550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.245550 (E_RNA)
where:
Base-Base interactions energy: -443.033
where: short stacking energy: -221.534
Base-Backbone interact. energy: 3.091
local terms energy: -329.292686
where:
bonds (distance) C4'-P energy: -78.187
bonds (distance) P-C4' energy: -90.070
flat angles C4'-P-C4' energy: -78.309
flat angles P-C4'-P energy: -56.235
tors. eta vs tors. theta energy: -26.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.988 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -561.175734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.175734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.175734 (E_RNA)
where:
Base-Base interactions energy: -271.585
where: short stacking energy: -152.995
Base-Backbone interact. energy: 2.145
local terms energy: -291.735552
where:
bonds (distance) C4'-P energy: -83.693
bonds (distance) P-C4' energy: -82.370
flat angles C4'-P-C4' energy: -71.984
flat angles P-C4'-P energy: -53.272
tors. eta vs tors. theta energy: -0.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1703.895070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.895070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.895070 (E_RNA)
where:
Base-Base interactions energy: -1158.432
where: short stacking energy: -503.960
Base-Backbone interact. energy: -1.338
local terms energy: -544.125655
where:
bonds (distance) C4'-P energy: -100.164
bonds (distance) P-C4' energy: -111.131
flat angles C4'-P-C4' energy: -109.126
flat angles P-C4'-P energy: -70.238
tors. eta vs tors. theta energy: -153.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1643.727263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.727263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.727263 (E_RNA)
where:
Base-Base interactions energy: -1122.351
where: short stacking energy: -478.672
Base-Backbone interact. energy: -1.993
local terms energy: -519.383210
where:
bonds (distance) C4'-P energy: -95.296
bonds (distance) P-C4' energy: -102.457
flat angles C4'-P-C4' energy: -112.053
flat angles P-C4'-P energy: -71.637
tors. eta vs tors. theta energy: -137.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1553.235318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.235318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.235318 (E_RNA)
where:
Base-Base interactions energy: -1057.874
where: short stacking energy: -462.155
Base-Backbone interact. energy: 1.075
local terms energy: -496.436576
where:
bonds (distance) C4'-P energy: -96.388
bonds (distance) P-C4' energy: -97.485
flat angles C4'-P-C4' energy: -111.928
flat angles P-C4'-P energy: -63.445
tors. eta vs tors. theta energy: -127.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1398.370889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.370889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.370889 (E_RNA)
where:
Base-Base interactions energy: -913.260
where: short stacking energy: -410.061
Base-Backbone interact. energy: -1.420
local terms energy: -483.691185
where:
bonds (distance) C4'-P energy: -98.610
bonds (distance) P-C4' energy: -99.860
flat angles C4'-P-C4' energy: -107.766
flat angles P-C4'-P energy: -62.167
tors. eta vs tors. theta energy: -115.288
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: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1326.697078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.697078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.697078 (E_RNA)
where:
Base-Base interactions energy: -876.337
where: short stacking energy: -374.760
Base-Backbone interact. energy: -0.014
local terms energy: -450.345932
where:
bonds (distance) C4'-P energy: -91.116
bonds (distance) P-C4' energy: -84.272
flat angles C4'-P-C4' energy: -108.744
flat angles P-C4'-P energy: -73.824
tors. eta vs tors. theta energy: -92.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1148.928985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.928985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.928985 (E_RNA)
where:
Base-Base interactions energy: -711.825
where: short stacking energy: -340.341
Base-Backbone interact. energy: -1.999
local terms energy: -435.105136
where:
bonds (distance) C4'-P energy: -76.549
bonds (distance) P-C4' energy: -105.431
flat angles C4'-P-C4' energy: -100.149
flat angles P-C4'-P energy: -60.284
tors. eta vs tors. theta energy: -92.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1068.159028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.159028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.159028 (E_RNA)
where:
Base-Base interactions energy: -681.204
where: short stacking energy: -302.960
Base-Backbone interact. energy: -4.553
local terms energy: -382.402100
where:
bonds (distance) C4'-P energy: -81.367
bonds (distance) P-C4' energy: -84.804
flat angles C4'-P-C4' energy: -76.927
flat angles P-C4'-P energy: -67.626
tors. eta vs tors. theta energy: -71.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -788.712732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.712732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.712732 (E_RNA)
where:
Base-Base interactions energy: -448.782
where: short stacking energy: -222.634
Base-Backbone interact. energy: -1.883
local terms energy: -338.047685
where:
bonds (distance) C4'-P energy: -67.192
bonds (distance) P-C4' energy: -99.725
flat angles C4'-P-C4' energy: -78.591
flat angles P-C4'-P energy: -66.672
tors. eta vs tors. theta energy: -25.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -737.111621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.111621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.111621 (E_RNA)
where:
Base-Base interactions energy: -435.564
where: short stacking energy: -179.637
Base-Backbone interact. energy: -1.509
local terms energy: -300.038659
where:
bonds (distance) C4'-P energy: -95.258
bonds (distance) P-C4' energy: -65.783
flat angles C4'-P-C4' energy: -76.742
flat angles P-C4'-P energy: -47.309
tors. eta vs tors. theta energy: -14.947
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: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -538.713608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.713608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.713608 (E_RNA)
where:
Base-Base interactions energy: -244.984
where: short stacking energy: -146.984
Base-Backbone interact. energy: -3.339
local terms energy: -290.390408
where:
bonds (distance) C4'-P energy: -55.884
bonds (distance) P-C4' energy: -93.825
flat angles C4'-P-C4' energy: -88.092
flat angles P-C4'-P energy: -53.189
tors. eta vs tors. theta energy: 0.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1695.721618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.721618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.721618 (E_RNA)
where:
Base-Base interactions energy: -1150.145
where: short stacking energy: -517.072
Base-Backbone interact. energy: -1.484
local terms energy: -544.092361
where:
bonds (distance) C4'-P energy: -86.223
bonds (distance) P-C4' energy: -109.787
flat angles C4'-P-C4' energy: -120.564
flat angles P-C4'-P energy: -77.217
tors. eta vs tors. theta energy: -150.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1663.210002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.210002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.210002 (E_RNA)
where:
Base-Base interactions energy: -1127.506
where: short stacking energy: -472.388
Base-Backbone interact. energy: 0.389
local terms energy: -536.092570
where:
bonds (distance) C4'-P energy: -98.165
bonds (distance) P-C4' energy: -108.086
flat angles C4'-P-C4' energy: -116.737
flat angles P-C4'-P energy: -78.798
tors. eta vs tors. theta energy: -134.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1575.790237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.790237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.790237 (E_RNA)
where:
Base-Base interactions energy: -1075.953
where: short stacking energy: -454.481
Base-Backbone interact. energy: -1.685
local terms energy: -498.151532
where:
bonds (distance) C4'-P energy: -84.673
bonds (distance) P-C4' energy: -107.376
flat angles C4'-P-C4' energy: -102.654
flat angles P-C4'-P energy: -68.735
tors. eta vs tors. theta energy: -134.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1380.794471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.794471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.794471 (E_RNA)
where:
Base-Base interactions energy: -913.390
where: short stacking energy: -404.333
Base-Backbone interact. energy: -1.612
local terms energy: -465.792634
where:
bonds (distance) C4'-P energy: -92.794
bonds (distance) P-C4' energy: -97.223
flat angles C4'-P-C4' energy: -103.265
flat angles P-C4'-P energy: -65.112
tors. eta vs tors. theta energy: -107.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1387.597002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.597002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.597002 (E_RNA)
where:
Base-Base interactions energy: -929.398
where: short stacking energy: -439.085
Base-Backbone interact. energy: -0.435
local terms energy: -457.764641
where:
bonds (distance) C4'-P energy: -96.913
bonds (distance) P-C4' energy: -71.784
flat angles C4'-P-C4' energy: -94.045
flat angles P-C4'-P energy: -74.522
tors. eta vs tors. theta energy: -120.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1122.396999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.396999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.396999 (E_RNA)
where:
Base-Base interactions energy: -711.999
where: short stacking energy: -345.983
Base-Backbone interact. energy: -2.593
local terms energy: -407.805540
where:
bonds (distance) C4'-P energy: -82.364
bonds (distance) P-C4' energy: -88.700
flat angles C4'-P-C4' energy: -97.464
flat angles P-C4'-P energy: -53.103
tors. eta vs tors. theta energy: -86.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -993.396793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.396793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.396793 (E_RNA)
where:
Base-Base interactions energy: -595.770
where: short stacking energy: -308.535
Base-Backbone interact. energy: -1.062
local terms energy: -396.564874
where:
bonds (distance) C4'-P energy: -84.488
bonds (distance) P-C4' energy: -87.406
flat angles C4'-P-C4' energy: -100.988
flat angles P-C4'-P energy: -52.747
tors. eta vs tors. theta energy: -70.936
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: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -916.239240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.239240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.239240 (E_RNA)
where:
Base-Base interactions energy: -559.554
where: short stacking energy: -252.050
Base-Backbone interact. energy: 0.252
local terms energy: -356.936384
where:
bonds (distance) C4'-P energy: -84.813
bonds (distance) P-C4' energy: -93.328
flat angles C4'-P-C4' energy: -84.953
flat angles P-C4'-P energy: -38.723
tors. eta vs tors. theta energy: -55.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -790.425273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.425273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.425273 (E_RNA)
where:
Base-Base interactions energy: -435.234
where: short stacking energy: -211.330
Base-Backbone interact. energy: 0.303
local terms energy: -355.494329
where:
bonds (distance) C4'-P energy: -82.129
bonds (distance) P-C4' energy: -95.659
flat angles C4'-P-C4' energy: -73.483
flat angles P-C4'-P energy: -65.190
tors. eta vs tors. theta energy: -39.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -523.904212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.904212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.904212 (E_RNA)
where:
Base-Base interactions energy: -242.587
where: short stacking energy: -142.185
Base-Backbone interact. energy: -0.106
local terms energy: -281.211585
where:
bonds (distance) C4'-P energy: -84.650
bonds (distance) P-C4' energy: -83.721
flat angles C4'-P-C4' energy: -70.118
flat angles P-C4'-P energy: -45.713
tors. eta vs tors. theta energy: 2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1701.416524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.416524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.416524 (E_RNA)
where:
Base-Base interactions energy: -1155.619
where: short stacking energy: -500.463
Base-Backbone interact. energy: -4.121
local terms energy: -541.676752
where:
bonds (distance) C4'-P energy: -101.734
bonds (distance) P-C4' energy: -93.337
flat angles C4'-P-C4' energy: -119.549
flat angles P-C4'-P energy: -84.024
tors. eta vs tors. theta energy: -143.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1659.780384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.780384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.780384 (E_RNA)
where:
Base-Base interactions energy: -1122.676
where: short stacking energy: -478.734
Base-Backbone interact. energy: -0.368
local terms energy: -536.736463
where:
bonds (distance) C4'-P energy: -100.209
bonds (distance) P-C4' energy: -102.745
flat angles C4'-P-C4' energy: -125.299
flat angles P-C4'-P energy: -67.160
tors. eta vs tors. theta energy: -141.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1586.695648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.695648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.695648 (E_RNA)
where:
Base-Base interactions energy: -1097.170
where: short stacking energy: -455.682
Base-Backbone interact. energy: -2.341
local terms energy: -487.184666
where:
bonds (distance) C4'-P energy: -84.204
bonds (distance) P-C4' energy: -86.287
flat angles C4'-P-C4' energy: -112.715
flat angles P-C4'-P energy: -72.606
tors. eta vs tors. theta energy: -131.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1354.990967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.990967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.990967 (E_RNA)
where:
Base-Base interactions energy: -909.402
where: short stacking energy: -398.297
Base-Backbone interact. energy: 0.875
local terms energy: -446.464007
where:
bonds (distance) C4'-P energy: -92.176
bonds (distance) P-C4' energy: -86.538
flat angles C4'-P-C4' energy: -104.473
flat angles P-C4'-P energy: -68.882
tors. eta vs tors. theta energy: -94.396
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: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1408.483217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.483217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.483217 (E_RNA)
where:
Base-Base interactions energy: -924.141
where: short stacking energy: -409.280
Base-Backbone interact. energy: -1.832
local terms energy: -482.510240
where:
bonds (distance) C4'-P energy: -99.694
bonds (distance) P-C4' energy: -104.340
flat angles C4'-P-C4' energy: -99.789
flat angles P-C4'-P energy: -63.182
tors. eta vs tors. theta energy: -115.505
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: 220
Temperature: 1.150000
Total energy: -1173.437545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.437545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.437545 (E_RNA)
where:
Base-Base interactions energy: -771.627
where: short stacking energy: -357.200
Base-Backbone interact. energy: 0.205
local terms energy: -402.014842
where:
bonds (distance) C4'-P energy: -92.637
bonds (distance) P-C4' energy: -83.293
flat angles C4'-P-C4' energy: -101.333
flat angles P-C4'-P energy: -37.567
tors. eta vs tors. theta energy: -87.185
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: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -981.091758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.091758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.091758 (E_RNA)
where:
Base-Base interactions energy: -603.547
where: short stacking energy: -278.970
Base-Backbone interact. energy: -0.837
local terms energy: -376.707618
where:
bonds (distance) C4'-P energy: -83.249
bonds (distance) P-C4' energy: -76.747
flat angles C4'-P-C4' energy: -84.658
flat angles P-C4'-P energy: -78.644
tors. eta vs tors. theta energy: -53.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -846.536938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.536938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.536938 (E_RNA)
where:
Base-Base interactions energy: -483.371
where: short stacking energy: -231.482
Base-Backbone interact. energy: -1.652
local terms energy: -361.514337
where:
bonds (distance) C4'-P energy: -90.997
bonds (distance) P-C4' energy: -99.071
flat angles C4'-P-C4' energy: -70.993
flat angles P-C4'-P energy: -62.354
tors. eta vs tors. theta energy: -38.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -769.781165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.781165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.781165 (E_RNA)
where:
Base-Base interactions energy: -451.195
where: short stacking energy: -215.978
Base-Backbone interact. energy: 3.092
local terms energy: -321.678199
where:
bonds (distance) C4'-P energy: -77.817
bonds (distance) P-C4' energy: -89.338
flat angles C4'-P-C4' energy: -75.567
flat angles P-C4'-P energy: -49.937
tors. eta vs tors. theta energy: -29.019
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: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -547.676743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.676743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.676743 (E_RNA)
where:
Base-Base interactions energy: -253.757
where: short stacking energy: -160.579
Base-Backbone interact. energy: 2.251
local terms energy: -296.170000
where:
bonds (distance) C4'-P energy: -70.805
bonds (distance) P-C4' energy: -93.123
flat angles C4'-P-C4' energy: -72.678
flat angles P-C4'-P energy: -57.298
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1703.597733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.597733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.597733 (E_RNA)
where:
Base-Base interactions energy: -1146.465
where: short stacking energy: -509.600
Base-Backbone interact. energy: -1.962
local terms energy: -555.170882
where:
bonds (distance) C4'-P energy: -106.773
bonds (distance) P-C4' energy: -99.704
flat angles C4'-P-C4' energy: -121.866
flat angles P-C4'-P energy: -73.746
tors. eta vs tors. theta energy: -153.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1639.375903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.375903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.375903 (E_RNA)
where:
Base-Base interactions energy: -1117.866
where: short stacking energy: -456.368
Base-Backbone interact. energy: 0.433
local terms energy: -521.942011
where:
bonds (distance) C4'-P energy: -100.154
bonds (distance) P-C4' energy: -97.004
flat angles C4'-P-C4' energy: -102.596
flat angles P-C4'-P energy: -79.446
tors. eta vs tors. theta energy: -142.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1581.090614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.090614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.090614 (E_RNA)
where:
Base-Base interactions energy: -1085.085
where: short stacking energy: -453.052
Base-Backbone interact. energy: -3.439
local terms energy: -492.566494
where:
bonds (distance) C4'-P energy: -89.528
bonds (distance) P-C4' energy: -99.728
flat angles C4'-P-C4' energy: -102.503
flat angles P-C4'-P energy: -66.664
tors. eta vs tors. theta energy: -134.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1423.993866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.993866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.993866 (E_RNA)
where:
Base-Base interactions energy: -964.239
where: short stacking energy: -434.033
Base-Backbone interact. energy: -0.579
local terms energy: -459.175129
where:
bonds (distance) C4'-P energy: -88.095
bonds (distance) P-C4' energy: -100.111
flat angles C4'-P-C4' energy: -93.028
flat angles P-C4'-P energy: -71.848
tors. eta vs tors. theta energy: -106.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1295.051391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.051391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.051391 (E_RNA)
where:
Base-Base interactions energy: -875.995
where: short stacking energy: -393.808
Base-Backbone interact. energy: -1.229
local terms energy: -417.827280
where:
bonds (distance) C4'-P energy: -93.011
bonds (distance) P-C4' energy: -79.145
flat angles C4'-P-C4' energy: -98.664
flat angles P-C4'-P energy: -55.692
tors. eta vs tors. theta energy: -91.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1130.157586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.157586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.157586 (E_RNA)
where:
Base-Base interactions energy: -704.213
where: short stacking energy: -343.127
Base-Backbone interact. energy: 5.515
local terms energy: -431.459786
where:
bonds (distance) C4'-P energy: -86.877
bonds (distance) P-C4' energy: -104.889
flat angles C4'-P-C4' energy: -85.856
flat angles P-C4'-P energy: -70.205
tors. eta vs tors. theta energy: -83.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -940.157005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.157005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.157005 (E_RNA)
where:
Base-Base interactions energy: -561.238
where: short stacking energy: -273.506
Base-Backbone interact. energy: -4.302
local terms energy: -374.616826
where:
bonds (distance) C4'-P energy: -79.736
bonds (distance) P-C4' energy: -92.734
flat angles C4'-P-C4' energy: -83.346
flat angles P-C4'-P energy: -64.742
tors. eta vs tors. theta energy: -54.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -855.862572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.862572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.862572 (E_RNA)
where:
Base-Base interactions energy: -503.305
where: short stacking energy: -227.927
Base-Backbone interact. energy: -1.383
local terms energy: -351.174602
where:
bonds (distance) C4'-P energy: -68.818
bonds (distance) P-C4' energy: -84.074
flat angles C4'-P-C4' energy: -84.037
flat angles P-C4'-P energy: -76.709
tors. eta vs tors. theta energy: -37.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -754.054224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.054224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.054224 (E_RNA)
where:
Base-Base interactions energy: -446.521
where: short stacking energy: -221.228
Base-Backbone interact. energy: -1.248
local terms energy: -306.284599
where:
bonds (distance) C4'-P energy: -76.329
bonds (distance) P-C4' energy: -75.403
flat angles C4'-P-C4' energy: -76.275
flat angles P-C4'-P energy: -46.684
tors. eta vs tors. theta energy: -31.595
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: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -546.632753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.632753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.632753 (E_RNA)
where:
Base-Base interactions energy: -267.446
where: short stacking energy: -153.877
Base-Backbone interact. energy: -0.681
local terms energy: -278.505848
where:
bonds (distance) C4'-P energy: -67.050
bonds (distance) P-C4' energy: -75.200
flat angles C4'-P-C4' energy: -81.240
flat angles P-C4'-P energy: -58.641
tors. eta vs tors. theta energy: 3.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1698.989464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.989464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.989464 (E_RNA)
where:
Base-Base interactions energy: -1161.740
where: short stacking energy: -485.997
Base-Backbone interact. energy: -3.038
local terms energy: -534.211635
where:
bonds (distance) C4'-P energy: -106.628
bonds (distance) P-C4' energy: -101.797
flat angles C4'-P-C4' energy: -104.125
flat angles P-C4'-P energy: -74.913
tors. eta vs tors. theta energy: -146.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1657.166647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.166647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.166647 (E_RNA)
where:
Base-Base interactions energy: -1139.824
where: short stacking energy: -469.623
Base-Backbone interact. energy: -1.344
local terms energy: -515.998593
where:
bonds (distance) C4'-P energy: -98.239
bonds (distance) P-C4' energy: -86.679
flat angles C4'-P-C4' energy: -111.155
flat angles P-C4'-P energy: -80.381
tors. eta vs tors. theta energy: -139.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1572.860219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.860219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.860219 (E_RNA)
where:
Base-Base interactions energy: -1082.542
where: short stacking energy: -464.633
Base-Backbone interact. energy: -1.961
local terms energy: -488.357704
where:
bonds (distance) C4'-P energy: -91.055
bonds (distance) P-C4' energy: -105.819
flat angles C4'-P-C4' energy: -100.956
flat angles P-C4'-P energy: -62.672
tors. eta vs tors. theta energy: -127.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1433.208128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.208128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.208128 (E_RNA)
where:
Base-Base interactions energy: -950.312
where: short stacking energy: -457.928
Base-Backbone interact. energy: 0.328
local terms energy: -483.224127
where:
bonds (distance) C4'-P energy: -90.291
bonds (distance) P-C4' energy: -96.916
flat angles C4'-P-C4' energy: -101.065
flat angles P-C4'-P energy: -69.897
tors. eta vs tors. theta energy: -125.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1306.587939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.587939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.587939 (E_RNA)
where:
Base-Base interactions energy: -864.835
where: short stacking energy: -377.340
Base-Backbone interact. energy: -1.855
local terms energy: -439.897418
where:
bonds (distance) C4'-P energy: -94.510
bonds (distance) P-C4' energy: -91.125
flat angles C4'-P-C4' energy: -97.467
flat angles P-C4'-P energy: -61.371
tors. eta vs tors. theta energy: -95.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1155.314075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.314075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.314075 (E_RNA)
where:
Base-Base interactions energy: -748.133
where: short stacking energy: -343.903
Base-Backbone interact. energy: -2.051
local terms energy: -405.129813
where:
bonds (distance) C4'-P energy: -72.667
bonds (distance) P-C4' energy: -92.817
flat angles C4'-P-C4' energy: -97.518
flat angles P-C4'-P energy: -58.639
tors. eta vs tors. theta energy: -83.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -955.889692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.889692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.889692 (E_RNA)
where:
Base-Base interactions energy: -579.882
where: short stacking energy: -281.183
Base-Backbone interact. energy: -1.988
local terms energy: -374.020412
where:
bonds (distance) C4'-P energy: -85.048
bonds (distance) P-C4' energy: -97.797
flat angles C4'-P-C4' energy: -86.831
flat angles P-C4'-P energy: -54.234
tors. eta vs tors. theta energy: -50.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -891.285684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.285684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.285684 (E_RNA)
where:
Base-Base interactions energy: -533.722
where: short stacking energy: -238.581
Base-Backbone interact. energy: 2.363
local terms energy: -359.926477
where:
bonds (distance) C4'-P energy: -87.848
bonds (distance) P-C4' energy: -93.018
flat angles C4'-P-C4' energy: -93.563
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -36.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -747.692721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.692721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.692721 (E_RNA)
where:
Base-Base interactions energy: -434.657
where: short stacking energy: -222.215
Base-Backbone interact. energy: 0.163
local terms energy: -313.198844
where:
bonds (distance) C4'-P energy: -88.124
bonds (distance) P-C4' energy: -86.064
flat angles C4'-P-C4' energy: -69.863
flat angles P-C4'-P energy: -44.235
tors. eta vs tors. theta energy: -24.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -514.414466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.414466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.414466 (E_RNA)
where:
Base-Base interactions energy: -250.841
where: short stacking energy: -151.346
Base-Backbone interact. energy: -3.175
local terms energy: -260.398960
where:
bonds (distance) C4'-P energy: -77.015
bonds (distance) P-C4' energy: -94.166
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -38.084
tors. eta vs tors. theta energy: 13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1722.033586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.033586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.033586 (E_RNA)
where:
Base-Base interactions energy: -1157.523
where: short stacking energy: -490.637
Base-Backbone interact. energy: -2.203
local terms energy: -562.307540
where:
bonds (distance) C4'-P energy: -101.996
bonds (distance) P-C4' energy: -116.949
flat angles C4'-P-C4' energy: -110.865
flat angles P-C4'-P energy: -77.841
tors. eta vs tors. theta energy: -154.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1660.881208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.881208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.881208 (E_RNA)
where:
Base-Base interactions energy: -1138.961
where: short stacking energy: -484.631
Base-Backbone interact. energy: -1.744
local terms energy: -520.176829
where:
bonds (distance) C4'-P energy: -93.346
bonds (distance) P-C4' energy: -101.675
flat angles C4'-P-C4' energy: -112.180
flat angles P-C4'-P energy: -80.167
tors. eta vs tors. theta energy: -132.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1574.838441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.838441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.838441 (E_RNA)
where:
Base-Base interactions energy: -1079.819
where: short stacking energy: -438.397
Base-Backbone interact. energy: -0.755
local terms energy: -494.264768
where:
bonds (distance) C4'-P energy: -94.183
bonds (distance) P-C4' energy: -95.546
flat angles C4'-P-C4' energy: -104.148
flat angles P-C4'-P energy: -74.443
tors. eta vs tors. theta energy: -125.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1457.831019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.831019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.831019 (E_RNA)
where:
Base-Base interactions energy: -960.254
where: short stacking energy: -443.834
Base-Backbone interact. energy: -2.433
local terms energy: -495.144756
where:
bonds (distance) C4'-P energy: -110.577
bonds (distance) P-C4' energy: -88.801
flat angles C4'-P-C4' energy: -93.990
flat angles P-C4'-P energy: -71.462
tors. eta vs tors. theta energy: -130.314
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: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1340.571243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.571243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.571243 (E_RNA)
where:
Base-Base interactions energy: -899.692
where: short stacking energy: -385.996
Base-Backbone interact. energy: -2.102
local terms energy: -438.776844
where:
bonds (distance) C4'-P energy: -93.355
bonds (distance) P-C4' energy: -78.789
flat angles C4'-P-C4' energy: -93.260
flat angles P-C4'-P energy: -64.727
tors. eta vs tors. theta energy: -108.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1145.257860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.257860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.257860 (E_RNA)
where:
Base-Base interactions energy: -728.071
where: short stacking energy: -337.315
Base-Backbone interact. energy: -2.223
local terms energy: -414.963882
where:
bonds (distance) C4'-P energy: -80.315
bonds (distance) P-C4' energy: -101.013
flat angles C4'-P-C4' energy: -90.275
flat angles P-C4'-P energy: -71.414
tors. eta vs tors. theta energy: -71.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -937.967594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.967594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.967594 (E_RNA)
where:
Base-Base interactions energy: -580.612
where: short stacking energy: -283.245
Base-Backbone interact. energy: 0.635
local terms energy: -357.990590
where:
bonds (distance) C4'-P energy: -88.490
bonds (distance) P-C4' energy: -104.134
flat angles C4'-P-C4' energy: -79.172
flat angles P-C4'-P energy: -44.624
tors. eta vs tors. theta energy: -41.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -867.341042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.341042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.341042 (E_RNA)
where:
Base-Base interactions energy: -511.119
where: short stacking energy: -254.864
Base-Backbone interact. energy: -0.492
local terms energy: -355.730009
where:
bonds (distance) C4'-P energy: -78.011
bonds (distance) P-C4' energy: -84.103
flat angles C4'-P-C4' energy: -90.058
flat angles P-C4'-P energy: -53.021
tors. eta vs tors. theta energy: -50.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -751.012990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.012990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.012990 (E_RNA)
where:
Base-Base interactions energy: -431.369
where: short stacking energy: -198.016
Base-Backbone interact. energy: -2.360
local terms energy: -317.284161
where:
bonds (distance) C4'-P energy: -78.529
bonds (distance) P-C4' energy: -94.315
flat angles C4'-P-C4' energy: -83.516
flat angles P-C4'-P energy: -48.693
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -571.743081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.743081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.743081 (E_RNA)
where:
Base-Base interactions energy: -280.108
where: short stacking energy: -147.355
Base-Backbone interact. energy: -0.486
local terms energy: -291.149181
where:
bonds (distance) C4'-P energy: -93.221
bonds (distance) P-C4' energy: -84.078
flat angles C4'-P-C4' energy: -89.088
flat angles P-C4'-P energy: -34.083
tors. eta vs tors. theta energy: 9.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1724.584366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.584366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.584366 (E_RNA)
where:
Base-Base interactions energy: -1157.610
where: short stacking energy: -494.215
Base-Backbone interact. energy: -2.285
local terms energy: -564.689670
where:
bonds (distance) C4'-P energy: -99.611
bonds (distance) P-C4' energy: -112.101
flat angles C4'-P-C4' energy: -115.133
flat angles P-C4'-P energy: -78.579
tors. eta vs tors. theta energy: -159.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1636.837445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.837445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.837445 (E_RNA)
where:
Base-Base interactions energy: -1131.231
where: short stacking energy: -469.777
Base-Backbone interact. energy: -0.677
local terms energy: -504.928690
where:
bonds (distance) C4'-P energy: -99.286
bonds (distance) P-C4' energy: -86.313
flat angles C4'-P-C4' energy: -113.613
flat angles P-C4'-P energy: -71.137
tors. eta vs tors. theta energy: -134.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1597.053968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.053968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.053968 (E_RNA)
where:
Base-Base interactions energy: -1096.063
where: short stacking energy: -463.405
Base-Backbone interact. energy: -2.162
local terms energy: -498.828330
where:
bonds (distance) C4'-P energy: -98.484
bonds (distance) P-C4' energy: -92.666
flat angles C4'-P-C4' energy: -97.787
flat angles P-C4'-P energy: -75.904
tors. eta vs tors. theta energy: -133.988
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: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1469.788804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.788804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.788804 (E_RNA)
where:
Base-Base interactions energy: -1007.161
where: short stacking energy: -439.237
Base-Backbone interact. energy: -0.875
local terms energy: -461.752820
where:
bonds (distance) C4'-P energy: -98.718
bonds (distance) P-C4' energy: -92.982
flat angles C4'-P-C4' energy: -97.989
flat angles P-C4'-P energy: -57.232
tors. eta vs tors. theta energy: -114.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1405.069568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.069568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.069568 (E_RNA)
where:
Base-Base interactions energy: -939.378
where: short stacking energy: -422.442
Base-Backbone interact. energy: -1.023
local terms energy: -464.669051
where:
bonds (distance) C4'-P energy: -93.053
bonds (distance) P-C4' energy: -92.558
flat angles C4'-P-C4' energy: -107.188
flat angles P-C4'-P energy: -59.396
tors. eta vs tors. theta energy: -112.473
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: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1137.428714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.428714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.428714 (E_RNA)
where:
Base-Base interactions energy: -725.769
where: short stacking energy: -316.873
Base-Backbone interact. energy: -0.484
local terms energy: -411.175690
where:
bonds (distance) C4'-P energy: -88.636
bonds (distance) P-C4' energy: -95.586
flat angles C4'-P-C4' energy: -95.846
flat angles P-C4'-P energy: -70.277
tors. eta vs tors. theta energy: -60.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -903.811323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.811323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.811323 (E_RNA)
where:
Base-Base interactions energy: -524.087
where: short stacking energy: -259.640
Base-Backbone interact. energy: -0.003
local terms energy: -379.721738
where:
bonds (distance) C4'-P energy: -94.157
bonds (distance) P-C4' energy: -89.284
flat angles C4'-P-C4' energy: -86.501
flat angles P-C4'-P energy: -54.160
tors. eta vs tors. theta energy: -55.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -806.478690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.478690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.478690 (E_RNA)
where:
Base-Base interactions energy: -472.175
where: short stacking energy: -235.561
Base-Backbone interact. energy: -0.748
local terms energy: -333.555631
where:
bonds (distance) C4'-P energy: -84.302
bonds (distance) P-C4' energy: -79.551
flat angles C4'-P-C4' energy: -87.091
flat angles P-C4'-P energy: -53.975
tors. eta vs tors. theta energy: -28.636
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: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -736.566554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.566554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.566554 (E_RNA)
where:
Base-Base interactions energy: -410.803
where: short stacking energy: -202.426
Base-Backbone interact. energy: -1.367
local terms energy: -324.396824
where:
bonds (distance) C4'-P energy: -78.419
bonds (distance) P-C4' energy: -86.280
flat angles C4'-P-C4' energy: -80.958
flat angles P-C4'-P energy: -58.280
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -519.801553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.801553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.801553 (E_RNA)
where:
Base-Base interactions energy: -245.760
where: short stacking energy: -137.796
Base-Backbone interact. energy: -0.567
local terms energy: -273.474423
where:
bonds (distance) C4'-P energy: -101.834
bonds (distance) P-C4' energy: -66.029
flat angles C4'-P-C4' energy: -77.817
flat angles P-C4'-P energy: -28.969
tors. eta vs tors. theta energy: 1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1699.982252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.982252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.982252 (E_RNA)
where:
Base-Base interactions energy: -1165.468
where: short stacking energy: -497.057
Base-Backbone interact. energy: 0.374
local terms energy: -534.887791
where:
bonds (distance) C4'-P energy: -105.941
bonds (distance) P-C4' energy: -98.330
flat angles C4'-P-C4' energy: -118.452
flat angles P-C4'-P energy: -65.706
tors. eta vs tors. theta energy: -146.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1684.119002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.119002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.119002 (E_RNA)
where:
Base-Base interactions energy: -1150.034
where: short stacking energy: -497.809
Base-Backbone interact. energy: -1.336
local terms energy: -532.749156
where:
bonds (distance) C4'-P energy: -103.761
bonds (distance) P-C4' energy: -97.051
flat angles C4'-P-C4' energy: -108.144
flat angles P-C4'-P energy: -81.307
tors. eta vs tors. theta energy: -142.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1575.945863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.945863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.945863 (E_RNA)
where:
Base-Base interactions energy: -1054.032
where: short stacking energy: -466.006
Base-Backbone interact. energy: -2.820
local terms energy: -519.093555
where:
bonds (distance) C4'-P energy: -98.046
bonds (distance) P-C4' energy: -102.443
flat angles C4'-P-C4' energy: -115.831
flat angles P-C4'-P energy: -66.629
tors. eta vs tors. theta energy: -136.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1429.230288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.230288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.230288 (E_RNA)
where:
Base-Base interactions energy: -946.275
where: short stacking energy: -419.142
Base-Backbone interact. energy: -2.570
local terms energy: -480.385273
where:
bonds (distance) C4'-P energy: -90.561
bonds (distance) P-C4' energy: -96.271
flat angles C4'-P-C4' energy: -101.126
flat angles P-C4'-P energy: -63.860
tors. eta vs tors. theta energy: -128.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1350.852113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.852113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.852113 (E_RNA)
where:
Base-Base interactions energy: -886.284
where: short stacking energy: -396.453
Base-Backbone interact. energy: -0.214
local terms energy: -464.353931
where:
bonds (distance) C4'-P energy: -84.019
bonds (distance) P-C4' energy: -93.310
flat angles C4'-P-C4' energy: -109.292
flat angles P-C4'-P energy: -71.370
tors. eta vs tors. theta energy: -106.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1220.611511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.611511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.611511 (E_RNA)
where:
Base-Base interactions energy: -800.442
where: short stacking energy: -354.190
Base-Backbone interact. energy: -0.285
local terms energy: -419.884820
where:
bonds (distance) C4'-P energy: -86.163
bonds (distance) P-C4' energy: -92.380
flat angles C4'-P-C4' energy: -100.088
flat angles P-C4'-P energy: -58.019
tors. eta vs tors. theta energy: -83.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -871.951090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.951090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.951090 (E_RNA)
where:
Base-Base interactions energy: -502.865
where: short stacking energy: -239.287
Base-Backbone interact. energy: -0.180
local terms energy: -368.906219
where:
bonds (distance) C4'-P energy: -89.716
bonds (distance) P-C4' energy: -104.648
flat angles C4'-P-C4' energy: -96.480
flat angles P-C4'-P energy: -55.107
tors. eta vs tors. theta energy: -22.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -974.268888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.268888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.268888 (E_RNA)
where:
Base-Base interactions energy: -608.613
where: short stacking energy: -266.839
Base-Backbone interact. energy: 2.206
local terms energy: -368.464029
where:
bonds (distance) C4'-P energy: -90.809
bonds (distance) P-C4' energy: -100.831
flat angles C4'-P-C4' energy: -79.640
flat angles P-C4'-P energy: -42.183
tors. eta vs tors. theta energy: -55.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.602 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -750.239741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.239741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.239741 (E_RNA)
where:
Base-Base interactions energy: -423.723
where: short stacking energy: -199.168
Base-Backbone interact. energy: -2.811
local terms energy: -323.705904
where:
bonds (distance) C4'-P energy: -87.642
bonds (distance) P-C4' energy: -86.287
flat angles C4'-P-C4' energy: -80.724
flat angles P-C4'-P energy: -42.886
tors. eta vs tors. theta energy: -26.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -522.649896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.649896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.649896 (E_RNA)
where:
Base-Base interactions energy: -225.990
where: short stacking energy: -135.656
Base-Backbone interact. energy: -1.483
local terms energy: -295.176004
where:
bonds (distance) C4'-P energy: -82.491
bonds (distance) P-C4' energy: -87.163
flat angles C4'-P-C4' energy: -92.409
flat angles P-C4'-P energy: -39.287
tors. eta vs tors. theta energy: 6.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1703.182671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.182671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.182671 (E_RNA)
where:
Base-Base interactions energy: -1157.341
where: short stacking energy: -506.748
Base-Backbone interact. energy: -1.765
local terms energy: -544.076242
where:
bonds (distance) C4'-P energy: -104.979
bonds (distance) P-C4' energy: -105.979
flat angles C4'-P-C4' energy: -109.725
flat angles P-C4'-P energy: -80.243
tors. eta vs tors. theta energy: -143.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1686.915808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.915808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.915808 (E_RNA)
where:
Base-Base interactions energy: -1152.692
where: short stacking energy: -515.347
Base-Backbone interact. energy: -0.806
local terms energy: -533.417700
where:
bonds (distance) C4'-P energy: -93.446
bonds (distance) P-C4' energy: -111.017
flat angles C4'-P-C4' energy: -115.402
flat angles P-C4'-P energy: -66.725
tors. eta vs tors. theta energy: -146.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1564.702057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.702057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.702057 (E_RNA)
where:
Base-Base interactions energy: -1060.851
where: short stacking energy: -443.253
Base-Backbone interact. energy: -3.507
local terms energy: -500.344368
where:
bonds (distance) C4'-P energy: -93.376
bonds (distance) P-C4' energy: -109.975
flat angles C4'-P-C4' energy: -111.768
flat angles P-C4'-P energy: -60.712
tors. eta vs tors. theta energy: -124.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1465.479167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.479167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.479167 (E_RNA)
where:
Base-Base interactions energy: -995.086
where: short stacking energy: -422.923
Base-Backbone interact. energy: -1.204
local terms energy: -469.188734
where:
bonds (distance) C4'-P energy: -71.665
bonds (distance) P-C4' energy: -90.528
flat angles C4'-P-C4' energy: -117.043
flat angles P-C4'-P energy: -70.866
tors. eta vs tors. theta energy: -119.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1300.046375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.046375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.046375 (E_RNA)
where:
Base-Base interactions energy: -856.531
where: short stacking energy: -403.491
Base-Backbone interact. energy: 0.243
local terms energy: -443.758089
where:
bonds (distance) C4'-P energy: -77.260
bonds (distance) P-C4' energy: -96.654
flat angles C4'-P-C4' energy: -96.688
flat angles P-C4'-P energy: -64.764
tors. eta vs tors. theta energy: -108.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1221.353653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.353653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.353653 (E_RNA)
where:
Base-Base interactions energy: -786.421
where: short stacking energy: -364.040
Base-Backbone interact. energy: -2.117
local terms energy: -432.815613
where:
bonds (distance) C4'-P energy: -96.699
bonds (distance) P-C4' energy: -96.990
flat angles C4'-P-C4' energy: -89.014
flat angles P-C4'-P energy: -63.415
tors. eta vs tors. theta energy: -86.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1006.629595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.629595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.629595 (E_RNA)
where:
Base-Base interactions energy: -626.501
where: short stacking energy: -275.262
Base-Backbone interact. energy: 1.274
local terms energy: -381.402459
where:
bonds (distance) C4'-P energy: -93.630
bonds (distance) P-C4' energy: -81.059
flat angles C4'-P-C4' energy: -90.995
flat angles P-C4'-P energy: -55.450
tors. eta vs tors. theta energy: -60.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -842.258628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.258628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.258628 (E_RNA)
where:
Base-Base interactions energy: -501.187
where: short stacking energy: -241.138
Base-Backbone interact. energy: 1.148
local terms energy: -342.219553
where:
bonds (distance) C4'-P energy: -84.302
bonds (distance) P-C4' energy: -73.445
flat angles C4'-P-C4' energy: -88.101
flat angles P-C4'-P energy: -66.101
tors. eta vs tors. theta energy: -30.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -802.385482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.385482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.385482 (E_RNA)
where:
Base-Base interactions energy: -475.537
where: short stacking energy: -246.928
Base-Backbone interact. energy: -0.790
local terms energy: -326.057942
where:
bonds (distance) C4'-P energy: -74.563
bonds (distance) P-C4' energy: -94.134
flat angles C4'-P-C4' energy: -84.673
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -33.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -534.249879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.249879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.249879 (E_RNA)
where:
Base-Base interactions energy: -230.576
where: short stacking energy: -157.690
Base-Backbone interact. energy: 4.736
local terms energy: -308.409362
where:
bonds (distance) C4'-P energy: -84.707
bonds (distance) P-C4' energy: -97.378
flat angles C4'-P-C4' energy: -76.074
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1684.475258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.475258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.475258 (E_RNA)
where:
Base-Base interactions energy: -1148.921
where: short stacking energy: -472.197
Base-Backbone interact. energy: -4.541
local terms energy: -531.012805
where:
bonds (distance) C4'-P energy: -115.550
bonds (distance) P-C4' energy: -102.330
flat angles C4'-P-C4' energy: -110.234
flat angles P-C4'-P energy: -69.515
tors. eta vs tors. theta energy: -133.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1668.571461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.571461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.571461 (E_RNA)
where:
Base-Base interactions energy: -1141.353
where: short stacking energy: -472.465
Base-Backbone interact. energy: -0.918
local terms energy: -526.300180
where:
bonds (distance) C4'-P energy: -99.462
bonds (distance) P-C4' energy: -99.997
flat angles C4'-P-C4' energy: -111.030
flat angles P-C4'-P energy: -71.943
tors. eta vs tors. theta energy: -143.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1562.894314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.894314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.894314 (E_RNA)
where:
Base-Base interactions energy: -1052.273
where: short stacking energy: -439.635
Base-Backbone interact. energy: -2.888
local terms energy: -507.732663
where:
bonds (distance) C4'-P energy: -101.370
bonds (distance) P-C4' energy: -97.404
flat angles C4'-P-C4' energy: -107.408
flat angles P-C4'-P energy: -80.397
tors. eta vs tors. theta energy: -121.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1412.832782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.832782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.832782 (E_RNA)
where:
Base-Base interactions energy: -934.753
where: short stacking energy: -407.505
Base-Backbone interact. energy: -1.601
local terms energy: -476.478204
where:
bonds (distance) C4'-P energy: -92.825
bonds (distance) P-C4' energy: -88.152
flat angles C4'-P-C4' energy: -112.187
flat angles P-C4'-P energy: -70.609
tors. eta vs tors. theta energy: -112.706
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: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1360.893393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.893393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.893393 (E_RNA)
where:
Base-Base interactions energy: -903.366
where: short stacking energy: -411.831
Base-Backbone interact. energy: 2.096
local terms energy: -459.623932
where:
bonds (distance) C4'-P energy: -77.332
bonds (distance) P-C4' energy: -98.479
flat angles C4'-P-C4' energy: -114.509
flat angles P-C4'-P energy: -64.117
tors. eta vs tors. theta energy: -105.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1212.629260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.629260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.629260 (E_RNA)
where:
Base-Base interactions energy: -801.115
where: short stacking energy: -378.503
Base-Backbone interact. energy: 5.334
local terms energy: -416.848283
where:
bonds (distance) C4'-P energy: -70.263
bonds (distance) P-C4' energy: -87.583
flat angles C4'-P-C4' energy: -97.996
flat angles P-C4'-P energy: -59.416
tors. eta vs tors. theta energy: -101.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1037.633523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.633523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.633523 (E_RNA)
where:
Base-Base interactions energy: -664.706
where: short stacking energy: -294.188
Base-Backbone interact. energy: 0.988
local terms energy: -373.916075
where:
bonds (distance) C4'-P energy: -84.136
bonds (distance) P-C4' energy: -85.708
flat angles C4'-P-C4' energy: -81.808
flat angles P-C4'-P energy: -63.783
tors. eta vs tors. theta energy: -58.480
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: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -873.734144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.734144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.734144 (E_RNA)
where:
Base-Base interactions energy: -491.552
where: short stacking energy: -262.321
Base-Backbone interact. energy: 1.298
local terms energy: -383.480453
where:
bonds (distance) C4'-P energy: -89.335
bonds (distance) P-C4' energy: -93.592
flat angles C4'-P-C4' energy: -93.938
flat angles P-C4'-P energy: -54.713
tors. eta vs tors. theta energy: -51.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -785.967531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.967531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.967531 (E_RNA)
where:
Base-Base interactions energy: -456.953
where: short stacking energy: -228.396
Base-Backbone interact. energy: -0.101
local terms energy: -328.913163
where:
bonds (distance) C4'-P energy: -69.682
bonds (distance) P-C4' energy: -89.157
flat angles C4'-P-C4' energy: -77.214
flat angles P-C4'-P energy: -63.088
tors. eta vs tors. theta energy: -29.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -530.843221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.843221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.843221 (E_RNA)
where:
Base-Base interactions energy: -231.304
where: short stacking energy: -151.675
Base-Backbone interact. energy: 2.179
local terms energy: -301.718306
where:
bonds (distance) C4'-P energy: -83.723
bonds (distance) P-C4' energy: -97.318
flat angles C4'-P-C4' energy: -68.018
flat angles P-C4'-P energy: -48.144
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1712.701546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.701546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.701546 (E_RNA)
where:
Base-Base interactions energy: -1139.937
where: short stacking energy: -489.682
Base-Backbone interact. energy: -2.382
local terms energy: -570.382483
where:
bonds (distance) C4'-P energy: -112.252
bonds (distance) P-C4' energy: -107.656
flat angles C4'-P-C4' energy: -123.034
flat angles P-C4'-P energy: -85.720
tors. eta vs tors. theta energy: -141.721
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: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1648.430805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.430805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.430805 (E_RNA)
where:
Base-Base interactions energy: -1136.377
where: short stacking energy: -475.286
Base-Backbone interact. energy: -0.157
local terms energy: -511.897549
where:
bonds (distance) C4'-P energy: -99.855
bonds (distance) P-C4' energy: -97.238
flat angles C4'-P-C4' energy: -112.131
flat angles P-C4'-P energy: -63.270
tors. eta vs tors. theta energy: -139.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1562.039039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.039039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.039039 (E_RNA)
where:
Base-Base interactions energy: -1070.458
where: short stacking energy: -449.990
Base-Backbone interact. energy: 0.977
local terms energy: -492.558339
where:
bonds (distance) C4'-P energy: -101.659
bonds (distance) P-C4' energy: -104.890
flat angles C4'-P-C4' energy: -105.775
flat angles P-C4'-P energy: -63.687
tors. eta vs tors. theta energy: -116.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1437.549773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.549773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.549773 (E_RNA)
where:
Base-Base interactions energy: -961.329
where: short stacking energy: -427.439
Base-Backbone interact. energy: -1.786
local terms energy: -474.434636
where:
bonds (distance) C4'-P energy: -90.081
bonds (distance) P-C4' energy: -83.772
flat angles C4'-P-C4' energy: -104.194
flat angles P-C4'-P energy: -73.194
tors. eta vs tors. theta energy: -123.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1365.253680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.253680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.253680 (E_RNA)
where:
Base-Base interactions energy: -916.148
where: short stacking energy: -404.494
Base-Backbone interact. energy: -0.855
local terms energy: -448.250303
where:
bonds (distance) C4'-P energy: -81.252
bonds (distance) P-C4' energy: -83.263
flat angles C4'-P-C4' energy: -110.479
flat angles P-C4'-P energy: -66.306
tors. eta vs tors. theta energy: -106.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1040.848867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.848867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.848867 (E_RNA)
where:
Base-Base interactions energy: -649.489
where: short stacking energy: -302.639
Base-Backbone interact. energy: 0.557
local terms energy: -391.916699
where:
bonds (distance) C4'-P energy: -76.550
bonds (distance) P-C4' energy: -98.498
flat angles C4'-P-C4' energy: -98.278
flat angles P-C4'-P energy: -40.311
tors. eta vs tors. theta energy: -78.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1098.119302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.119302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.119302 (E_RNA)
where:
Base-Base interactions energy: -715.490
where: short stacking energy: -324.613
Base-Backbone interact. energy: -0.970
local terms energy: -381.659929
where:
bonds (distance) C4'-P energy: -71.297
bonds (distance) P-C4' energy: -88.405
flat angles C4'-P-C4' energy: -76.294
flat angles P-C4'-P energy: -65.981
tors. eta vs tors. theta energy: -79.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -840.056010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.056010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.056010 (E_RNA)
where:
Base-Base interactions energy: -506.466
where: short stacking energy: -234.116
Base-Backbone interact. energy: 2.945
local terms energy: -336.534552
where:
bonds (distance) C4'-P energy: -86.032
bonds (distance) P-C4' energy: -82.603
flat angles C4'-P-C4' energy: -81.926
flat angles P-C4'-P energy: -66.216
tors. eta vs tors. theta energy: -19.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -759.882437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.882437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.882437 (E_RNA)
where:
Base-Base interactions energy: -431.888
where: short stacking energy: -215.697
Base-Backbone interact. energy: 2.236
local terms energy: -330.229816
where:
bonds (distance) C4'-P energy: -87.302
bonds (distance) P-C4' energy: -95.018
flat angles C4'-P-C4' energy: -62.264
flat angles P-C4'-P energy: -60.514
tors. eta vs tors. theta energy: -25.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -493.224802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.224802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.224802 (E_RNA)
where:
Base-Base interactions energy: -217.308
where: short stacking energy: -122.684
Base-Backbone interact. energy: -1.592
local terms energy: -274.324655
where:
bonds (distance) C4'-P energy: -83.829
bonds (distance) P-C4' energy: -84.870
flat angles C4'-P-C4' energy: -75.041
flat angles P-C4'-P energy: -40.322
tors. eta vs tors. theta energy: 9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1707.517132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.517132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.517132 (E_RNA)
where:
Base-Base interactions energy: -1195.689
where: short stacking energy: -512.855
Base-Backbone interact. energy: 2.427
local terms energy: -514.255022
where:
bonds (distance) C4'-P energy: -98.542
bonds (distance) P-C4' energy: -86.699
flat angles C4'-P-C4' energy: -107.660
flat angles P-C4'-P energy: -71.068
tors. eta vs tors. theta energy: -150.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1664.641147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.641147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.641147 (E_RNA)
where:
Base-Base interactions energy: -1125.213
where: short stacking energy: -472.977
Base-Backbone interact. energy: -1.355
local terms energy: -538.072989
where:
bonds (distance) C4'-P energy: -102.108
bonds (distance) P-C4' energy: -111.635
flat angles C4'-P-C4' energy: -108.998
flat angles P-C4'-P energy: -74.980
tors. eta vs tors. theta energy: -140.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1561.619717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.619717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.619717 (E_RNA)
where:
Base-Base interactions energy: -1059.516
where: short stacking energy: -457.900
Base-Backbone interact. energy: 1.083
local terms energy: -503.186356
where:
bonds (distance) C4'-P energy: -91.349
bonds (distance) P-C4' energy: -103.600
flat angles C4'-P-C4' energy: -112.811
flat angles P-C4'-P energy: -65.665
tors. eta vs tors. theta energy: -129.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1419.132378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.132378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.132378 (E_RNA)
where:
Base-Base interactions energy: -942.162
where: short stacking energy: -407.958
Base-Backbone interact. energy: -1.323
local terms energy: -475.647708
where:
bonds (distance) C4'-P energy: -88.560
bonds (distance) P-C4' energy: -93.548
flat angles C4'-P-C4' energy: -102.962
flat angles P-C4'-P energy: -68.286
tors. eta vs tors. theta energy: -122.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1414.744326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.744326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.744326 (E_RNA)
where:
Base-Base interactions energy: -950.392
where: short stacking energy: -424.728
Base-Backbone interact. energy: 0.305
local terms energy: -464.657710
where:
bonds (distance) C4'-P energy: -77.080
bonds (distance) P-C4' energy: -95.342
flat angles C4'-P-C4' energy: -106.371
flat angles P-C4'-P energy: -64.039
tors. eta vs tors. theta energy: -121.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1130.574708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.574708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.574708 (E_RNA)
where:
Base-Base interactions energy: -710.380
where: short stacking energy: -327.135
Base-Backbone interact. energy: -1.984
local terms energy: -418.210764
where:
bonds (distance) C4'-P energy: -98.382
bonds (distance) P-C4' energy: -93.484
flat angles C4'-P-C4' energy: -100.002
flat angles P-C4'-P energy: -52.613
tors. eta vs tors. theta energy: -73.730
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: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1024.257856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.257856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.257856 (E_RNA)
where:
Base-Base interactions energy: -624.772
where: short stacking energy: -293.067
Base-Backbone interact. energy: -1.972
local terms energy: -397.513817
where:
bonds (distance) C4'-P energy: -77.347
bonds (distance) P-C4' energy: -97.723
flat angles C4'-P-C4' energy: -95.751
flat angles P-C4'-P energy: -66.164
tors. eta vs tors. theta energy: -60.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -849.430530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.430530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.430530 (E_RNA)
where:
Base-Base interactions energy: -476.222
where: short stacking energy: -241.877
Base-Backbone interact. energy: 0.417
local terms energy: -373.625691
where:
bonds (distance) C4'-P energy: -91.717
bonds (distance) P-C4' energy: -97.022
flat angles C4'-P-C4' energy: -69.848
flat angles P-C4'-P energy: -67.394
tors. eta vs tors. theta energy: -47.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -738.884865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.884865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.884865 (E_RNA)
where:
Base-Base interactions energy: -419.173
where: short stacking energy: -209.036
Base-Backbone interact. energy: -0.235
local terms energy: -319.477028
where:
bonds (distance) C4'-P energy: -96.900
bonds (distance) P-C4' energy: -89.173
flat angles C4'-P-C4' energy: -67.799
flat angles P-C4'-P energy: -45.670
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -548.636609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.636609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.636609 (E_RNA)
where:
Base-Base interactions energy: -274.044
where: short stacking energy: -157.650
Base-Backbone interact. energy: 1.036
local terms energy: -275.628582
where:
bonds (distance) C4'-P energy: -82.034
bonds (distance) P-C4' energy: -77.119
flat angles C4'-P-C4' energy: -66.403
flat angles P-C4'-P energy: -47.636
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1718.655809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.655809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.655809 (E_RNA)
where:
Base-Base interactions energy: -1167.890
where: short stacking energy: -514.588
Base-Backbone interact. energy: -4.661
local terms energy: -546.104093
where:
bonds (distance) C4'-P energy: -97.578
bonds (distance) P-C4' energy: -99.508
flat angles C4'-P-C4' energy: -116.042
flat angles P-C4'-P energy: -77.429
tors. eta vs tors. theta energy: -155.546
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: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1668.042740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.042740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.042740 (E_RNA)
where:
Base-Base interactions energy: -1133.521
where: short stacking energy: -497.331
Base-Backbone interact. energy: -2.239
local terms energy: -532.282813
where:
bonds (distance) C4'-P energy: -90.849
bonds (distance) P-C4' energy: -96.240
flat angles C4'-P-C4' energy: -120.295
flat angles P-C4'-P energy: -81.696
tors. eta vs tors. theta energy: -143.204
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: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1581.785037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.785037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.785037 (E_RNA)
where:
Base-Base interactions energy: -1075.908
where: short stacking energy: -447.181
Base-Backbone interact. energy: -1.305
local terms energy: -504.572636
where:
bonds (distance) C4'-P energy: -94.210
bonds (distance) P-C4' energy: -100.624
flat angles C4'-P-C4' energy: -107.015
flat angles P-C4'-P energy: -71.704
tors. eta vs tors. theta energy: -131.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1401.144545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.144545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.144545 (E_RNA)
where:
Base-Base interactions energy: -917.864
where: short stacking energy: -404.987
Base-Backbone interact. energy: 2.442
local terms energy: -485.722224
where:
bonds (distance) C4'-P energy: -97.373
bonds (distance) P-C4' energy: -95.326
flat angles C4'-P-C4' energy: -110.453
flat angles P-C4'-P energy: -66.687
tors. eta vs tors. theta energy: -115.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1413.683781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.683781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.683781 (E_RNA)
where:
Base-Base interactions energy: -958.787
where: short stacking energy: -426.070
Base-Backbone interact. energy: -1.402
local terms energy: -453.494567
where:
bonds (distance) C4'-P energy: -87.055
bonds (distance) P-C4' energy: -90.060
flat angles C4'-P-C4' energy: -99.927
flat angles P-C4'-P energy: -65.601
tors. eta vs tors. theta energy: -110.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1157.618857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.618857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.618857 (E_RNA)
where:
Base-Base interactions energy: -737.329
where: short stacking energy: -306.460
Base-Backbone interact. energy: -1.905
local terms energy: -418.384131
where:
bonds (distance) C4'-P energy: -83.293
bonds (distance) P-C4' energy: -94.153
flat angles C4'-P-C4' energy: -98.284
flat angles P-C4'-P energy: -63.247
tors. eta vs tors. theta energy: -79.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1033.642404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.642404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.642404 (E_RNA)
where:
Base-Base interactions energy: -656.217
where: short stacking energy: -288.124
Base-Backbone interact. energy: -2.592
local terms energy: -374.833668
where:
bonds (distance) C4'-P energy: -85.972
bonds (distance) P-C4' energy: -91.094
flat angles C4'-P-C4' energy: -82.104
flat angles P-C4'-P energy: -58.519
tors. eta vs tors. theta energy: -57.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -800.827142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.827142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.827142 (E_RNA)
where:
Base-Base interactions energy: -489.004
where: short stacking energy: -238.852
Base-Backbone interact. energy: 0.217
local terms energy: -312.040119
where:
bonds (distance) C4'-P energy: -77.531
bonds (distance) P-C4' energy: -82.283
flat angles C4'-P-C4' energy: -73.080
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -36.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -744.596288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.596288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.596288 (E_RNA)
where:
Base-Base interactions energy: -435.201
where: short stacking energy: -219.808
Base-Backbone interact. energy: -0.329
local terms energy: -309.066669
where:
bonds (distance) C4'-P energy: -85.491
bonds (distance) P-C4' energy: -77.448
flat angles C4'-P-C4' energy: -77.565
flat angles P-C4'-P energy: -40.500
tors. eta vs tors. theta energy: -28.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -545.185463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.185463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.185463 (E_RNA)
where:
Base-Base interactions energy: -296.807
where: short stacking energy: -172.168
Base-Backbone interact. energy: -1.798
local terms energy: -246.580869
where:
bonds (distance) C4'-P energy: -83.245
bonds (distance) P-C4' energy: -80.753
flat angles C4'-P-C4' energy: -58.583
flat angles P-C4'-P energy: -36.429
tors. eta vs tors. theta energy: 12.430
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: 1, replica: 10
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1711.289987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.289987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.289987 (E_RNA)
where:
Base-Base interactions energy: -1149.744
where: short stacking energy: -510.933
Base-Backbone interact. energy: -3.252
local terms energy: -558.294137
where:
bonds (distance) C4'-P energy: -102.060
bonds (distance) P-C4' energy: -106.141
flat angles C4'-P-C4' energy: -112.375
flat angles P-C4'-P energy: -84.152
tors. eta vs tors. theta energy: -153.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1657.745571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.745571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.745571 (E_RNA)
where:
Base-Base interactions energy: -1127.790
where: short stacking energy: -479.086
Base-Backbone interact. energy: -0.537
local terms energy: -529.419293
where:
bonds (distance) C4'-P energy: -104.568
bonds (distance) P-C4' energy: -104.590
flat angles C4'-P-C4' energy: -114.459
flat angles P-C4'-P energy: -63.315
tors. eta vs tors. theta energy: -142.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1586.691017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.691017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.691017 (E_RNA)
where:
Base-Base interactions energy: -1077.679
where: short stacking energy: -441.620
Base-Backbone interact. energy: -2.093
local terms energy: -506.919417
where:
bonds (distance) C4'-P energy: -100.671
bonds (distance) P-C4' energy: -92.849
flat angles C4'-P-C4' energy: -106.130
flat angles P-C4'-P energy: -78.770
tors. eta vs tors. theta energy: -128.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1383.799924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.799924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.799924 (E_RNA)
where:
Base-Base interactions energy: -932.966
where: short stacking energy: -416.951
Base-Backbone interact. energy: -0.053
local terms energy: -450.781420
where:
bonds (distance) C4'-P energy: -76.281
bonds (distance) P-C4' energy: -101.386
flat angles C4'-P-C4' energy: -98.203
flat angles P-C4'-P energy: -67.054
tors. eta vs tors. theta energy: -107.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1355.295507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.295507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.295507 (E_RNA)
where:
Base-Base interactions energy: -878.366
where: short stacking energy: -397.968
Base-Backbone interact. energy: -2.598
local terms energy: -474.330976
where:
bonds (distance) C4'-P energy: -75.375
bonds (distance) P-C4' energy: -113.566
flat angles C4'-P-C4' energy: -110.298
flat angles P-C4'-P energy: -60.235
tors. eta vs tors. theta energy: -114.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1156.876085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.876085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.876085 (E_RNA)
where:
Base-Base interactions energy: -760.895
where: short stacking energy: -326.094
Base-Backbone interact. energy: -0.383
local terms energy: -395.598130
where:
bonds (distance) C4'-P energy: -79.261
bonds (distance) P-C4' energy: -83.526
flat angles C4'-P-C4' energy: -98.881
flat angles P-C4'-P energy: -55.662
tors. eta vs tors. theta energy: -78.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1031.948887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.948887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.948887 (E_RNA)
where:
Base-Base interactions energy: -641.857
where: short stacking energy: -306.577
Base-Backbone interact. energy: 3.160
local terms energy: -393.251752
where:
bonds (distance) C4'-P energy: -92.310
bonds (distance) P-C4' energy: -88.114
flat angles C4'-P-C4' energy: -95.983
flat angles P-C4'-P energy: -54.933
tors. eta vs tors. theta energy: -61.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -778.556119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.556119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.556119 (E_RNA)
where:
Base-Base interactions energy: -440.031
where: short stacking energy: -232.976
Base-Backbone interact. energy: 1.449
local terms energy: -339.973771
where:
bonds (distance) C4'-P energy: -98.832
bonds (distance) P-C4' energy: -87.928
flat angles C4'-P-C4' energy: -82.234
flat angles P-C4'-P energy: -43.451
tors. eta vs tors. theta energy: -27.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -743.649510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.649510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.649510 (E_RNA)
where:
Base-Base interactions energy: -441.248
where: short stacking energy: -231.145
Base-Backbone interact. energy: -1.531
local terms energy: -300.870385
where:
bonds (distance) C4'-P energy: -75.781
bonds (distance) P-C4' energy: -79.434
flat angles C4'-P-C4' energy: -76.621
flat angles P-C4'-P energy: -46.414
tors. eta vs tors. theta energy: -22.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -517.811884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.811884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.811884 (E_RNA)
where:
Base-Base interactions energy: -253.840
where: short stacking energy: -159.598
Base-Backbone interact. energy: 0.454
local terms energy: -264.425825
where:
bonds (distance) C4'-P energy: -75.244
bonds (distance) P-C4' energy: -83.422
flat angles C4'-P-C4' energy: -68.421
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1706.680636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.680636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.680636 (E_RNA)
where:
Base-Base interactions energy: -1150.835
where: short stacking energy: -505.325
Base-Backbone interact. energy: -4.603
local terms energy: -551.242645
where:
bonds (distance) C4'-P energy: -111.545
bonds (distance) P-C4' energy: -110.680
flat angles C4'-P-C4' energy: -112.437
flat angles P-C4'-P energy: -75.516
tors. eta vs tors. theta energy: -141.065
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: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1644.448462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.448462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.448462 (E_RNA)
where:
Base-Base interactions energy: -1108.872
where: short stacking energy: -461.429
Base-Backbone interact. energy: -3.445
local terms energy: -532.131391
where:
bonds (distance) C4'-P energy: -92.776
bonds (distance) P-C4' energy: -109.820
flat angles C4'-P-C4' energy: -108.620
flat angles P-C4'-P energy: -81.054
tors. eta vs tors. theta energy: -139.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1594.778324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.778324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.778324 (E_RNA)
where:
Base-Base interactions energy: -1091.834
where: short stacking energy: -461.064
Base-Backbone interact. energy: -3.073
local terms energy: -499.870542
where:
bonds (distance) C4'-P energy: -97.549
bonds (distance) P-C4' energy: -96.606
flat angles C4'-P-C4' energy: -98.258
flat angles P-C4'-P energy: -73.581
tors. eta vs tors. theta energy: -133.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1357.142938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.142938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.142938 (E_RNA)
where:
Base-Base interactions energy: -891.775
where: short stacking energy: -395.061
Base-Backbone interact. energy: 0.046
local terms energy: -465.413355
where:
bonds (distance) C4'-P energy: -92.351
bonds (distance) P-C4' energy: -90.103
flat angles C4'-P-C4' energy: -106.097
flat angles P-C4'-P energy: -69.354
tors. eta vs tors. theta energy: -107.508
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: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1320.256681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.256681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.256681 (E_RNA)
where:
Base-Base interactions energy: -859.887
where: short stacking energy: -406.949
Base-Backbone interact. energy: 1.285
local terms energy: -461.654641
where:
bonds (distance) C4'-P energy: -93.755
bonds (distance) P-C4' energy: -82.651
flat angles C4'-P-C4' energy: -113.128
flat angles P-C4'-P energy: -68.495
tors. eta vs tors. theta energy: -103.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1161.978095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.978095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.978095 (E_RNA)
where:
Base-Base interactions energy: -754.018
where: short stacking energy: -329.951
Base-Backbone interact. energy: -3.151
local terms energy: -404.809587
where:
bonds (distance) C4'-P energy: -72.568
bonds (distance) P-C4' energy: -102.518
flat angles C4'-P-C4' energy: -101.380
flat angles P-C4'-P energy: -64.814
tors. eta vs tors. theta energy: -63.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1005.682873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.682873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.682873 (E_RNA)
where:
Base-Base interactions energy: -623.366
where: short stacking energy: -291.331
Base-Backbone interact. energy: -1.871
local terms energy: -380.445298
where:
bonds (distance) C4'-P energy: -89.727
bonds (distance) P-C4' energy: -103.753
flat angles C4'-P-C4' energy: -81.655
flat angles P-C4'-P energy: -63.925
tors. eta vs tors. theta energy: -41.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -754.159507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.159507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.159507 (E_RNA)
where:
Base-Base interactions energy: -429.710
where: short stacking energy: -231.334
Base-Backbone interact. energy: -2.086
local terms energy: -322.364212
where:
bonds (distance) C4'-P energy: -88.120
bonds (distance) P-C4' energy: -80.813
flat angles C4'-P-C4' energy: -86.272
flat angles P-C4'-P energy: -47.699
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -712.094300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.094300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.094300 (E_RNA)
where:
Base-Base interactions energy: -390.324
where: short stacking energy: -203.515
Base-Backbone interact. energy: 1.179
local terms energy: -322.949830
where:
bonds (distance) C4'-P energy: -83.640
bonds (distance) P-C4' energy: -96.532
flat angles C4'-P-C4' energy: -91.069
flat angles P-C4'-P energy: -36.996
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -536.583015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.583015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.583015 (E_RNA)
where:
Base-Base interactions energy: -250.541
where: short stacking energy: -157.014
Base-Backbone interact. energy: -0.619
local terms energy: -285.422546
where:
bonds (distance) C4'-P energy: -87.289
bonds (distance) P-C4' energy: -83.559
flat angles C4'-P-C4' energy: -55.876
flat angles P-C4'-P energy: -59.414
tors. eta vs tors. theta energy: 0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1711.127121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.127121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.127121 (E_RNA)
where:
Base-Base interactions energy: -1174.269
where: short stacking energy: -495.105
Base-Backbone interact. energy: 0.519
local terms energy: -537.377186
where:
bonds (distance) C4'-P energy: -101.632
bonds (distance) P-C4' energy: -108.247
flat angles C4'-P-C4' energy: -109.203
flat angles P-C4'-P energy: -80.504
tors. eta vs tors. theta energy: -137.792
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: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1649.213056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.213056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.213056 (E_RNA)
where:
Base-Base interactions energy: -1105.828
where: short stacking energy: -489.249
Base-Backbone interact. energy: -1.272
local terms energy: -542.112496
where:
bonds (distance) C4'-P energy: -105.756
bonds (distance) P-C4' energy: -104.167
flat angles C4'-P-C4' energy: -113.917
flat angles P-C4'-P energy: -75.538
tors. eta vs tors. theta energy: -142.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1589.630330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.630330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.630330 (E_RNA)
where:
Base-Base interactions energy: -1088.058
where: short stacking energy: -455.716
Base-Backbone interact. energy: -2.414
local terms energy: -499.157778
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -92.869
flat angles C4'-P-C4' energy: -108.898
flat angles P-C4'-P energy: -67.888
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: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1419.160416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.160416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.160416 (E_RNA)
where:
Base-Base interactions energy: -936.565
where: short stacking energy: -426.226
Base-Backbone interact. energy: 0.370
local terms energy: -482.966038
where:
bonds (distance) C4'-P energy: -97.112
bonds (distance) P-C4' energy: -91.981
flat angles C4'-P-C4' energy: -102.113
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -124.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1343.093907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.093907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.093907 (E_RNA)
where:
Base-Base interactions energy: -850.704
where: short stacking energy: -375.698
Base-Backbone interact. energy: 0.365
local terms energy: -492.754548
where:
bonds (distance) C4'-P energy: -104.975
bonds (distance) P-C4' energy: -94.752
flat angles C4'-P-C4' energy: -106.122
flat angles P-C4'-P energy: -76.464
tors. eta vs tors. theta energy: -110.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1175.201617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.201617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.201617 (E_RNA)
where:
Base-Base interactions energy: -762.156
where: short stacking energy: -354.365
Base-Backbone interact. energy: -0.969
local terms energy: -412.076619
where:
bonds (distance) C4'-P energy: -87.618
bonds (distance) P-C4' energy: -80.159
flat angles C4'-P-C4' energy: -106.247
flat angles P-C4'-P energy: -56.381
tors. eta vs tors. theta energy: -81.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -988.793233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.793233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.793233 (E_RNA)
where:
Base-Base interactions energy: -608.014
where: short stacking energy: -296.660
Base-Backbone interact. energy: 0.316
local terms energy: -381.095136
where:
bonds (distance) C4'-P energy: -97.815
bonds (distance) P-C4' energy: -88.413
flat angles C4'-P-C4' energy: -90.559
flat angles P-C4'-P energy: -49.273
tors. eta vs tors. theta energy: -55.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -730.665914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.665914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.665914 (E_RNA)
where:
Base-Base interactions energy: -442.260
where: short stacking energy: -237.164
Base-Backbone interact. energy: -1.945
local terms energy: -286.461549
where:
bonds (distance) C4'-P energy: -85.561
bonds (distance) P-C4' energy: -77.393
flat angles C4'-P-C4' energy: -66.402
flat angles P-C4'-P energy: -33.496
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -748.563546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.563546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.563546 (E_RNA)
where:
Base-Base interactions energy: -450.342
where: short stacking energy: -226.268
Base-Backbone interact. energy: -1.562
local terms energy: -296.659283
where:
bonds (distance) C4'-P energy: -59.630
bonds (distance) P-C4' energy: -79.205
flat angles C4'-P-C4' energy: -83.344
flat angles P-C4'-P energy: -47.594
tors. eta vs tors. theta energy: -26.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -538.778673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.778673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.778673 (E_RNA)
where:
Base-Base interactions energy: -242.232
where: short stacking energy: -135.756
Base-Backbone interact. energy: -0.584
local terms energy: -295.963188
where:
bonds (distance) C4'-P energy: -91.117
bonds (distance) P-C4' energy: -97.877
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -47.220
tors. eta vs tors. theta energy: 0.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1704.299248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.299248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.299248 (E_RNA)
where:
Base-Base interactions energy: -1138.951
where: short stacking energy: -490.098
Base-Backbone interact. energy: -1.576
local terms energy: -563.772650
where:
bonds (distance) C4'-P energy: -106.412
bonds (distance) P-C4' energy: -106.454
flat angles C4'-P-C4' energy: -130.702
flat angles P-C4'-P energy: -76.818
tors. eta vs tors. theta energy: -143.387
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: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1671.818504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.818504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.818504 (E_RNA)
where:
Base-Base interactions energy: -1132.275
where: short stacking energy: -487.611
Base-Backbone interact. energy: 1.464
local terms energy: -541.007925
where:
bonds (distance) C4'-P energy: -98.699
bonds (distance) P-C4' energy: -104.578
flat angles C4'-P-C4' energy: -109.987
flat angles P-C4'-P energy: -83.806
tors. eta vs tors. theta energy: -143.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1599.502174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.502174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.502174 (E_RNA)
where:
Base-Base interactions energy: -1092.316
where: short stacking energy: -461.685
Base-Backbone interact. energy: -3.089
local terms energy: -504.097504
where:
bonds (distance) C4'-P energy: -89.476
bonds (distance) P-C4' energy: -102.853
flat angles C4'-P-C4' energy: -110.193
flat angles P-C4'-P energy: -73.440
tors. eta vs tors. theta energy: -128.135
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: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1398.375070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.375070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.375070 (E_RNA)
where:
Base-Base interactions energy: -936.093
where: short stacking energy: -430.775
Base-Backbone interact. energy: -1.455
local terms energy: -460.826510
where:
bonds (distance) C4'-P energy: -81.869
bonds (distance) P-C4' energy: -93.442
flat angles C4'-P-C4' energy: -107.426
flat angles P-C4'-P energy: -64.415
tors. eta vs tors. theta energy: -113.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1347.262986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.262986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.262986 (E_RNA)
where:
Base-Base interactions energy: -868.707
where: short stacking energy: -387.206
Base-Backbone interact. energy: 0.004
local terms energy: -478.560694
where:
bonds (distance) C4'-P energy: -94.411
bonds (distance) P-C4' energy: -98.963
flat angles C4'-P-C4' energy: -94.818
flat angles P-C4'-P energy: -65.941
tors. eta vs tors. theta energy: -124.428
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: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1193.645494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.645494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.645494 (E_RNA)
where:
Base-Base interactions energy: -741.499
where: short stacking energy: -352.671
Base-Backbone interact. energy: -0.336
local terms energy: -451.811329
where:
bonds (distance) C4'-P energy: -99.923
bonds (distance) P-C4' energy: -91.578
flat angles C4'-P-C4' energy: -95.098
flat angles P-C4'-P energy: -75.532
tors. eta vs tors. theta energy: -89.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1007.972106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.972106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.972106 (E_RNA)
where:
Base-Base interactions energy: -643.265
where: short stacking energy: -294.040
Base-Backbone interact. energy: 7.515
local terms energy: -372.222017
where:
bonds (distance) C4'-P energy: -74.467
bonds (distance) P-C4' energy: -87.921
flat angles C4'-P-C4' energy: -85.823
flat angles P-C4'-P energy: -52.666
tors. eta vs tors. theta energy: -71.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -741.052428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.052428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.052428 (E_RNA)
where:
Base-Base interactions energy: -420.595
where: short stacking energy: -207.274
Base-Backbone interact. energy: -1.163
local terms energy: -319.294735
where:
bonds (distance) C4'-P energy: -80.253
bonds (distance) P-C4' energy: -91.707
flat angles C4'-P-C4' energy: -82.795
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -31.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -781.345949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.345949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.345949 (E_RNA)
where:
Base-Base interactions energy: -470.344
where: short stacking energy: -229.542
Base-Backbone interact. energy: -0.861
local terms energy: -310.140607
where:
bonds (distance) C4'-P energy: -76.164
bonds (distance) P-C4' energy: -85.139
flat angles C4'-P-C4' energy: -76.459
flat angles P-C4'-P energy: -40.176
tors. eta vs tors. theta energy: -32.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -514.907555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.907555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.907555 (E_RNA)
where:
Base-Base interactions energy: -246.407
where: short stacking energy: -151.572
Base-Backbone interact. energy: -1.534
local terms energy: -266.966457
where:
bonds (distance) C4'-P energy: -86.472
bonds (distance) P-C4' energy: -92.739
flat angles C4'-P-C4' energy: -66.331
flat angles P-C4'-P energy: -35.127
tors. eta vs tors. theta energy: 13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1707.122205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.122205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.122205 (E_RNA)
where:
Base-Base interactions energy: -1174.619
where: short stacking energy: -500.963
Base-Backbone interact. energy: 1.048
local terms energy: -533.550660
where:
bonds (distance) C4'-P energy: -93.035
bonds (distance) P-C4' energy: -101.558
flat angles C4'-P-C4' energy: -120.610
flat angles P-C4'-P energy: -75.785
tors. eta vs tors. theta energy: -142.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1659.953990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.953990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.953990 (E_RNA)
where:
Base-Base interactions energy: -1132.531
where: short stacking energy: -469.343
Base-Backbone interact. energy: -2.657
local terms energy: -524.766296
where:
bonds (distance) C4'-P energy: -102.263
bonds (distance) P-C4' energy: -106.173
flat angles C4'-P-C4' energy: -110.853
flat angles P-C4'-P energy: -63.866
tors. eta vs tors. theta energy: -141.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1621.434761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.434761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.434761 (E_RNA)
where:
Base-Base interactions energy: -1111.243
where: short stacking energy: -459.050
Base-Backbone interact. energy: -1.376
local terms energy: -508.814980
where:
bonds (distance) C4'-P energy: -90.355
bonds (distance) P-C4' energy: -112.930
flat angles C4'-P-C4' energy: -103.136
flat angles P-C4'-P energy: -69.578
tors. eta vs tors. theta energy: -132.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1440.224590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.224590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.224590 (E_RNA)
where:
Base-Base interactions energy: -931.048
where: short stacking energy: -403.994
Base-Backbone interact. energy: 1.264
local terms energy: -510.440489
where:
bonds (distance) C4'-P energy: -106.301
bonds (distance) P-C4' energy: -106.570
flat angles C4'-P-C4' energy: -113.843
flat angles P-C4'-P energy: -67.849
tors. eta vs tors. theta energy: -115.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1354.031005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.031005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.031005 (E_RNA)
where:
Base-Base interactions energy: -882.521
where: short stacking energy: -367.425
Base-Backbone interact. energy: -1.690
local terms energy: -469.819555
where:
bonds (distance) C4'-P energy: -91.746
bonds (distance) P-C4' energy: -101.478
flat angles C4'-P-C4' energy: -102.149
flat angles P-C4'-P energy: -71.812
tors. eta vs tors. theta energy: -102.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1184.637646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.637646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.637646 (E_RNA)
where:
Base-Base interactions energy: -760.904
where: short stacking energy: -327.338
Base-Backbone interact. energy: 0.119
local terms energy: -423.852952
where:
bonds (distance) C4'-P energy: -93.178
bonds (distance) P-C4' energy: -87.515
flat angles C4'-P-C4' energy: -103.550
flat angles P-C4'-P energy: -53.011
tors. eta vs tors. theta energy: -86.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1005.354520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.354520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.354520 (E_RNA)
where:
Base-Base interactions energy: -617.425
where: short stacking energy: -276.335
Base-Backbone interact. energy: -0.261
local terms energy: -387.668151
where:
bonds (distance) C4'-P energy: -76.501
bonds (distance) P-C4' energy: -98.990
flat angles C4'-P-C4' energy: -86.579
flat angles P-C4'-P energy: -68.895
tors. eta vs tors. theta energy: -56.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -873.154780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.154780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.154780 (E_RNA)
where:
Base-Base interactions energy: -519.468
where: short stacking energy: -254.162
Base-Backbone interact. energy: -1.091
local terms energy: -352.595773
where:
bonds (distance) C4'-P energy: -82.599
bonds (distance) P-C4' energy: -98.376
flat angles C4'-P-C4' energy: -83.566
flat angles P-C4'-P energy: -52.166
tors. eta vs tors. theta energy: -35.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -676.448051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.448051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.448051 (E_RNA)
where:
Base-Base interactions energy: -371.229
where: short stacking energy: -193.905
Base-Backbone interact. energy: 1.919
local terms energy: -307.138820
where:
bonds (distance) C4'-P energy: -74.310
bonds (distance) P-C4' energy: -87.301
flat angles C4'-P-C4' energy: -75.942
flat angles P-C4'-P energy: -36.434
tors. eta vs tors. theta energy: -33.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -520.121227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.121227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.121227 (E_RNA)
where:
Base-Base interactions energy: -255.420
where: short stacking energy: -150.017
Base-Backbone interact. energy: 2.805
local terms energy: -267.506519
where:
bonds (distance) C4'-P energy: -74.690
bonds (distance) P-C4' energy: -89.038
flat angles C4'-P-C4' energy: -76.906
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1715.156042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.156042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.156042 (E_RNA)
where:
Base-Base interactions energy: -1157.150
where: short stacking energy: -508.899
Base-Backbone interact. energy: -1.602
local terms energy: -556.404302
where:
bonds (distance) C4'-P energy: -108.792
bonds (distance) P-C4' energy: -111.804
flat angles C4'-P-C4' energy: -108.368
flat angles P-C4'-P energy: -76.025
tors. eta vs tors. theta energy: -151.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1683.232404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.232404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.232404 (E_RNA)
where:
Base-Base interactions energy: -1170.002
where: short stacking energy: -503.071
Base-Backbone interact. energy: -2.571
local terms energy: -510.659718
where:
bonds (distance) C4'-P energy: -88.619
bonds (distance) P-C4' energy: -88.890
flat angles C4'-P-C4' energy: -114.202
flat angles P-C4'-P energy: -79.478
tors. eta vs tors. theta energy: -139.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1586.269917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.269917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.269917 (E_RNA)
where:
Base-Base interactions energy: -1064.037
where: short stacking energy: -458.905
Base-Backbone interact. energy: -0.783
local terms energy: -521.450127
where:
bonds (distance) C4'-P energy: -100.950
bonds (distance) P-C4' energy: -109.397
flat angles C4'-P-C4' energy: -107.973
flat angles P-C4'-P energy: -71.269
tors. eta vs tors. theta energy: -131.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1434.552902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.552902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.552902 (E_RNA)
where:
Base-Base interactions energy: -952.775
where: short stacking energy: -395.001
Base-Backbone interact. energy: -0.519
local terms energy: -481.259308
where:
bonds (distance) C4'-P energy: -94.735
bonds (distance) P-C4' energy: -103.505
flat angles C4'-P-C4' energy: -109.056
flat angles P-C4'-P energy: -75.270
tors. eta vs tors. theta energy: -98.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1374.169287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.169287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.169287 (E_RNA)
where:
Base-Base interactions energy: -889.448
where: short stacking energy: -389.831
Base-Backbone interact. energy: -2.107
local terms energy: -482.614302
where:
bonds (distance) C4'-P energy: -102.567
bonds (distance) P-C4' energy: -89.125
flat angles C4'-P-C4' energy: -105.993
flat angles P-C4'-P energy: -72.664
tors. eta vs tors. theta energy: -112.266
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: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1136.224069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.224069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.224069 (E_RNA)
where:
Base-Base interactions energy: -731.538
where: short stacking energy: -330.480
Base-Backbone interact. energy: -0.273
local terms energy: -404.413670
where:
bonds (distance) C4'-P energy: -90.859
bonds (distance) P-C4' energy: -91.844
flat angles C4'-P-C4' energy: -82.206
flat angles P-C4'-P energy: -69.873
tors. eta vs tors. theta energy: -69.632
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: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1019.232712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.232712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.232712 (E_RNA)
where:
Base-Base interactions energy: -644.138
where: short stacking energy: -316.449
Base-Backbone interact. energy: -1.975
local terms energy: -373.118937
where:
bonds (distance) C4'-P energy: -78.693
bonds (distance) P-C4' energy: -85.662
flat angles C4'-P-C4' energy: -77.415
flat angles P-C4'-P energy: -65.091
tors. eta vs tors. theta energy: -66.258
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: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -830.541776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.541776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.541776 (E_RNA)
where:
Base-Base interactions energy: -490.787
where: short stacking energy: -223.698
Base-Backbone interact. energy: -1.507
local terms energy: -338.248440
where:
bonds (distance) C4'-P energy: -84.784
bonds (distance) P-C4' energy: -89.410
flat angles C4'-P-C4' energy: -74.083
flat angles P-C4'-P energy: -40.053
tors. eta vs tors. theta energy: -49.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -679.640059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.640059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.640059 (E_RNA)
where:
Base-Base interactions energy: -356.563
where: short stacking energy: -193.769
Base-Backbone interact. energy: -1.160
local terms energy: -321.917076
where:
bonds (distance) C4'-P energy: -87.124
bonds (distance) P-C4' energy: -84.504
flat angles C4'-P-C4' energy: -80.417
flat angles P-C4'-P energy: -60.503
tors. eta vs tors. theta energy: -9.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -541.008755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.008755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.008755 (E_RNA)
where:
Base-Base interactions energy: -261.871
where: short stacking energy: -165.303
Base-Backbone interact. energy: -1.465
local terms energy: -277.672020
where:
bonds (distance) C4'-P energy: -75.862
bonds (distance) P-C4' energy: -86.146
flat angles C4'-P-C4' energy: -77.000
flat angles P-C4'-P energy: -42.994
tors. eta vs tors. theta energy: 4.331
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: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1709.124858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.124858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.124858 (E_RNA)
where:
Base-Base interactions energy: -1152.907
where: short stacking energy: -501.292
Base-Backbone interact. energy: 2.823
local terms energy: -559.041428
where:
bonds (distance) C4'-P energy: -97.166
bonds (distance) P-C4' energy: -113.541
flat angles C4'-P-C4' energy: -119.966
flat angles P-C4'-P energy: -84.358
tors. eta vs tors. theta energy: -144.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1650.905297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.905297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.905297 (E_RNA)
where:
Base-Base interactions energy: -1108.347
where: short stacking energy: -472.003
Base-Backbone interact. energy: -0.605
local terms energy: -541.954035
where:
bonds (distance) C4'-P energy: -102.345
bonds (distance) P-C4' energy: -112.309
flat angles C4'-P-C4' energy: -120.333
flat angles P-C4'-P energy: -82.633
tors. eta vs tors. theta energy: -124.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1566.453290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.453290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.453290 (E_RNA)
where:
Base-Base interactions energy: -1054.570
where: short stacking energy: -448.086
Base-Backbone interact. energy: -4.519
local terms energy: -507.364336
where:
bonds (distance) C4'-P energy: -100.937
bonds (distance) P-C4' energy: -101.513
flat angles C4'-P-C4' energy: -115.753
flat angles P-C4'-P energy: -62.138
tors. eta vs tors. theta energy: -127.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1439.198192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.198192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.198192 (E_RNA)
where:
Base-Base interactions energy: -968.011
where: short stacking energy: -420.007
Base-Backbone interact. energy: -2.086
local terms energy: -469.101907
where:
bonds (distance) C4'-P energy: -107.568
bonds (distance) P-C4' energy: -91.281
flat angles C4'-P-C4' energy: -90.561
flat angles P-C4'-P energy: -62.495
tors. eta vs tors. theta energy: -117.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1427.359725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.359725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.359725 (E_RNA)
where:
Base-Base interactions energy: -921.327
where: short stacking energy: -439.324
Base-Backbone interact. energy: -2.121
local terms energy: -503.912220
where:
bonds (distance) C4'-P energy: -86.630
bonds (distance) P-C4' energy: -107.854
flat angles C4'-P-C4' energy: -102.987
flat angles P-C4'-P energy: -75.858
tors. eta vs tors. theta energy: -130.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1149.697560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.697560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.697560 (E_RNA)
where:
Base-Base interactions energy: -750.048
where: short stacking energy: -338.772
Base-Backbone interact. energy: -1.165
local terms energy: -398.484155
where:
bonds (distance) C4'-P energy: -77.088
bonds (distance) P-C4' energy: -97.784
flat angles C4'-P-C4' energy: -95.592
flat angles P-C4'-P energy: -50.117
tors. eta vs tors. theta energy: -77.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1016.448227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.448227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.448227 (E_RNA)
where:
Base-Base interactions energy: -636.447
where: short stacking energy: -263.958
Base-Backbone interact. energy: -1.409
local terms energy: -378.592381
where:
bonds (distance) C4'-P energy: -81.929
bonds (distance) P-C4' energy: -101.388
flat angles C4'-P-C4' energy: -80.142
flat angles P-C4'-P energy: -59.564
tors. eta vs tors. theta energy: -55.570
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: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -820.085408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.085408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.085408 (E_RNA)
where:
Base-Base interactions energy: -446.630
where: short stacking energy: -229.387
Base-Backbone interact. energy: -1.959
local terms energy: -371.496344
where:
bonds (distance) C4'-P energy: -81.585
bonds (distance) P-C4' energy: -98.179
flat angles C4'-P-C4' energy: -103.241
flat angles P-C4'-P energy: -52.321
tors. eta vs tors. theta energy: -36.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -679.103553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.103553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.103553 (E_RNA)
where:
Base-Base interactions energy: -373.533
where: short stacking energy: -188.131
Base-Backbone interact. energy: -1.811
local terms energy: -303.760141
where:
bonds (distance) C4'-P energy: -74.206
bonds (distance) P-C4' energy: -86.988
flat angles C4'-P-C4' energy: -72.611
flat angles P-C4'-P energy: -54.534
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -478.000793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.000793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.000793 (E_RNA)
where:
Base-Base interactions energy: -190.394
where: short stacking energy: -114.020
Base-Backbone interact. energy: -1.718
local terms energy: -285.888798
where:
bonds (distance) C4'-P energy: -105.427
bonds (distance) P-C4' energy: -80.447
flat angles C4'-P-C4' energy: -64.952
flat angles P-C4'-P energy: -45.566
tors. eta vs tors. theta energy: 10.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1716.670180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.670180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.670180 (E_RNA)
where:
Base-Base interactions energy: -1174.036
where: short stacking energy: -513.863
Base-Backbone interact. energy: -0.427
local terms energy: -542.207104
where:
bonds (distance) C4'-P energy: -85.429
bonds (distance) P-C4' energy: -97.812
flat angles C4'-P-C4' energy: -120.745
flat angles P-C4'-P energy: -88.431
tors. eta vs tors. theta energy: -149.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1660.657093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.657093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.657093 (E_RNA)
where:
Base-Base interactions energy: -1147.369
where: short stacking energy: -469.725
Base-Backbone interact. energy: 1.299
local terms energy: -514.587144
where:
bonds (distance) C4'-P energy: -104.809
bonds (distance) P-C4' energy: -97.098
flat angles C4'-P-C4' energy: -118.515
flat angles P-C4'-P energy: -73.306
tors. eta vs tors. theta energy: -120.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1609.681049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.681049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.681049 (E_RNA)
where:
Base-Base interactions energy: -1093.682
where: short stacking energy: -452.088
Base-Backbone interact. energy: 0.209
local terms energy: -516.207502
where:
bonds (distance) C4'-P energy: -90.899
bonds (distance) P-C4' energy: -100.370
flat angles C4'-P-C4' energy: -111.971
flat angles P-C4'-P energy: -80.666
tors. eta vs tors. theta energy: -132.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1451.418120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.418120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.418120 (E_RNA)
where:
Base-Base interactions energy: -1014.683
where: short stacking energy: -420.551
Base-Backbone interact. energy: -3.444
local terms energy: -433.290791
where:
bonds (distance) C4'-P energy: -79.693
bonds (distance) P-C4' energy: -91.217
flat angles C4'-P-C4' energy: -83.443
flat angles P-C4'-P energy: -72.381
tors. eta vs tors. theta energy: -106.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1426.040047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.040047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.040047 (E_RNA)
where:
Base-Base interactions energy: -961.779
where: short stacking energy: -433.325
Base-Backbone interact. energy: -1.129
local terms energy: -463.131608
where:
bonds (distance) C4'-P energy: -86.535
bonds (distance) P-C4' energy: -75.329
flat angles C4'-P-C4' energy: -106.565
flat angles P-C4'-P energy: -73.974
tors. eta vs tors. theta energy: -120.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1167.736581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.736581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.736581 (E_RNA)
where:
Base-Base interactions energy: -736.276
where: short stacking energy: -315.109
Base-Backbone interact. energy: 0.431
local terms energy: -431.891350
where:
bonds (distance) C4'-P energy: -78.291
bonds (distance) P-C4' energy: -113.245
flat angles C4'-P-C4' energy: -92.759
flat angles P-C4'-P energy: -70.572
tors. eta vs tors. theta energy: -77.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1036.605794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.605794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.605794 (E_RNA)
where:
Base-Base interactions energy: -674.482
where: short stacking energy: -282.711
Base-Backbone interact. energy: -1.668
local terms energy: -360.455702
where:
bonds (distance) C4'-P energy: -89.139
bonds (distance) P-C4' energy: -86.120
flat angles C4'-P-C4' energy: -91.844
flat angles P-C4'-P energy: -50.222
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -823.727116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.727116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.727116 (E_RNA)
where:
Base-Base interactions energy: -500.011
where: short stacking energy: -263.841
Base-Backbone interact. energy: -2.274
local terms energy: -321.442772
where:
bonds (distance) C4'-P energy: -57.032
bonds (distance) P-C4' energy: -82.981
flat angles C4'-P-C4' energy: -77.304
flat angles P-C4'-P energy: -44.663
tors. eta vs tors. theta energy: -59.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -704.178380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.178380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.178380 (E_RNA)
where:
Base-Base interactions energy: -390.168
where: short stacking energy: -207.217
Base-Backbone interact. energy: -0.441
local terms energy: -313.569377
where:
bonds (distance) C4'-P energy: -84.256
bonds (distance) P-C4' energy: -84.907
flat angles C4'-P-C4' energy: -76.632
flat angles P-C4'-P energy: -49.093
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -517.987607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.987607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.987607 (E_RNA)
where:
Base-Base interactions energy: -239.708
where: short stacking energy: -155.813
Base-Backbone interact. energy: -1.116
local terms energy: -277.163919
where:
bonds (distance) C4'-P energy: -81.421
bonds (distance) P-C4' energy: -78.954
flat angles C4'-P-C4' energy: -75.313
flat angles P-C4'-P energy: -39.340
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1726.583619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.583619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.583619 (E_RNA)
where:
Base-Base interactions energy: -1177.994
where: short stacking energy: -507.656
Base-Backbone interact. energy: 0.637
local terms energy: -549.226409
where:
bonds (distance) C4'-P energy: -89.043
bonds (distance) P-C4' energy: -116.090
flat angles C4'-P-C4' energy: -118.926
flat angles P-C4'-P energy: -75.458
tors. eta vs tors. theta energy: -149.709
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: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1630.054337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.054337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.054337 (E_RNA)
where:
Base-Base interactions energy: -1105.463
where: short stacking energy: -464.557
Base-Backbone interact. energy: 1.893
local terms energy: -526.483849
where:
bonds (distance) C4'-P energy: -103.758
bonds (distance) P-C4' energy: -94.186
flat angles C4'-P-C4' energy: -121.801
flat angles P-C4'-P energy: -76.275
tors. eta vs tors. theta energy: -130.464
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: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1577.825284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.825284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.825284 (E_RNA)
where:
Base-Base interactions energy: -1070.196
where: short stacking energy: -461.092
Base-Backbone interact. energy: -1.082
local terms energy: -506.546718
where:
bonds (distance) C4'-P energy: -92.743
bonds (distance) P-C4' energy: -94.691
flat angles C4'-P-C4' energy: -110.874
flat angles P-C4'-P energy: -77.373
tors. eta vs tors. theta energy: -130.866
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: 2
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1456.240552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.240552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.240552 (E_RNA)
where:
Base-Base interactions energy: -950.910
where: short stacking energy: -421.210
Base-Backbone interact. energy: -0.876
local terms energy: -504.454309
where:
bonds (distance) C4'-P energy: -91.050
bonds (distance) P-C4' energy: -105.735
flat angles C4'-P-C4' energy: -108.778
flat angles P-C4'-P energy: -71.258
tors. eta vs tors. theta energy: -127.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1333.355534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.355534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.355534 (E_RNA)
where:
Base-Base interactions energy: -903.172
where: short stacking energy: -387.680
Base-Backbone interact. energy: -1.715
local terms energy: -428.468820
where:
bonds (distance) C4'-P energy: -81.839
bonds (distance) P-C4' energy: -81.181
flat angles C4'-P-C4' energy: -106.901
flat angles P-C4'-P energy: -65.160
tors. eta vs tors. theta energy: -93.387
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: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1184.767194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.767194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.767194 (E_RNA)
where:
Base-Base interactions energy: -759.644
where: short stacking energy: -332.408
Base-Backbone interact. energy: 2.782
local terms energy: -427.905087
where:
bonds (distance) C4'-P energy: -81.879
bonds (distance) P-C4' energy: -97.205
flat angles C4'-P-C4' energy: -101.539
flat angles P-C4'-P energy: -73.845
tors. eta vs tors. theta energy: -73.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1024.209298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.209298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.209298 (E_RNA)
where:
Base-Base interactions energy: -675.627
where: short stacking energy: -277.033
Base-Backbone interact. energy: 2.883
local terms energy: -351.465662
where:
bonds (distance) C4'-P energy: -87.952
bonds (distance) P-C4' energy: -86.756
flat angles C4'-P-C4' energy: -93.060
flat angles P-C4'-P energy: -50.877
tors. eta vs tors. theta energy: -32.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -806.428788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.428788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.428788 (E_RNA)
where:
Base-Base interactions energy: -444.317
where: short stacking energy: -224.153
Base-Backbone interact. energy: -0.346
local terms energy: -361.765694
where:
bonds (distance) C4'-P energy: -85.158
bonds (distance) P-C4' energy: -105.790
flat angles C4'-P-C4' energy: -83.545
flat angles P-C4'-P energy: -59.598
tors. eta vs tors. theta energy: -27.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -689.850355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.850355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.850355 (E_RNA)
where:
Base-Base interactions energy: -375.638
where: short stacking energy: -219.143
Base-Backbone interact. energy: -1.943
local terms energy: -312.269615
where:
bonds (distance) C4'-P energy: -72.899
bonds (distance) P-C4' energy: -89.476
flat angles C4'-P-C4' energy: -77.452
flat angles P-C4'-P energy: -48.603
tors. eta vs tors. theta energy: -23.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -501.732228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.732228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.732228 (E_RNA)
where:
Base-Base interactions energy: -245.438
where: short stacking energy: -151.898
Base-Backbone interact. energy: -0.793
local terms energy: -255.501641
where:
bonds (distance) C4'-P energy: -75.018
bonds (distance) P-C4' energy: -93.373
flat angles C4'-P-C4' energy: -54.716
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: 8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1714.412023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.412023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.412023 (E_RNA)
where:
Base-Base interactions energy: -1159.371
where: short stacking energy: -510.573
Base-Backbone interact. energy: -0.734
local terms energy: -554.306871
where:
bonds (distance) C4'-P energy: -107.361
bonds (distance) P-C4' energy: -109.567
flat angles C4'-P-C4' energy: -116.916
flat angles P-C4'-P energy: -73.487
tors. eta vs tors. theta energy: -146.976
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: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1626.343892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.343892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.343892 (E_RNA)
where:
Base-Base interactions energy: -1104.051
where: short stacking energy: -461.340
Base-Backbone interact. energy: 0.454
local terms energy: -522.747143
where:
bonds (distance) C4'-P energy: -93.705
bonds (distance) P-C4' energy: -103.634
flat angles C4'-P-C4' energy: -115.451
flat angles P-C4'-P energy: -75.350
tors. eta vs tors. theta energy: -134.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1585.712833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.712833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.712833 (E_RNA)
where:
Base-Base interactions energy: -1075.816
where: short stacking energy: -466.332
Base-Backbone interact. energy: -0.582
local terms energy: -509.314892
where:
bonds (distance) C4'-P energy: -96.454
bonds (distance) P-C4' energy: -84.886
flat angles C4'-P-C4' energy: -115.490
flat angles P-C4'-P energy: -76.133
tors. eta vs tors. theta energy: -136.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1445.117878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.117878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.117878 (E_RNA)
where:
Base-Base interactions energy: -965.150
where: short stacking energy: -439.869
Base-Backbone interact. energy: -2.603
local terms energy: -477.365164
where:
bonds (distance) C4'-P energy: -75.674
bonds (distance) P-C4' energy: -95.194
flat angles C4'-P-C4' energy: -109.966
flat angles P-C4'-P energy: -72.397
tors. eta vs tors. theta energy: -124.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1360.975637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.975637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.975637 (E_RNA)
where:
Base-Base interactions energy: -894.145
where: short stacking energy: -386.578
Base-Backbone interact. energy: -0.980
local terms energy: -465.851138
where:
bonds (distance) C4'-P energy: -87.412
bonds (distance) P-C4' energy: -93.145
flat angles C4'-P-C4' energy: -115.910
flat angles P-C4'-P energy: -60.256
tors. eta vs tors. theta energy: -109.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1145.238993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.238993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.238993 (E_RNA)
where:
Base-Base interactions energy: -742.521
where: short stacking energy: -339.671
Base-Backbone interact. energy: -1.601
local terms energy: -401.116647
where:
bonds (distance) C4'-P energy: -84.872
bonds (distance) P-C4' energy: -96.271
flat angles C4'-P-C4' energy: -85.286
flat angles P-C4'-P energy: -46.473
tors. eta vs tors. theta energy: -88.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1052.133274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.133274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.133274 (E_RNA)
where:
Base-Base interactions energy: -663.891
where: short stacking energy: -287.387
Base-Backbone interact. energy: -1.634
local terms energy: -386.608871
where:
bonds (distance) C4'-P energy: -90.130
bonds (distance) P-C4' energy: -84.682
flat angles C4'-P-C4' energy: -94.218
flat angles P-C4'-P energy: -62.545
tors. eta vs tors. theta energy: -55.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -902.979037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.979037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.979037 (E_RNA)
where:
Base-Base interactions energy: -532.165
where: short stacking energy: -297.754
Base-Backbone interact. energy: 3.130
local terms energy: -373.944011
where:
bonds (distance) C4'-P energy: -92.944
bonds (distance) P-C4' energy: -88.576
flat angles C4'-P-C4' energy: -80.283
flat angles P-C4'-P energy: -52.612
tors. eta vs tors. theta energy: -59.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -697.410373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.410373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.410373 (E_RNA)
where:
Base-Base interactions energy: -381.355
where: short stacking energy: -174.396
Base-Backbone interact. energy: 2.959
local terms energy: -319.013809
where:
bonds (distance) C4'-P energy: -71.015
bonds (distance) P-C4' energy: -102.268
flat angles C4'-P-C4' energy: -76.493
flat angles P-C4'-P energy: -56.783
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -583.696434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.696434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.696434 (E_RNA)
where:
Base-Base interactions energy: -318.944
where: short stacking energy: -174.951
Base-Backbone interact. energy: 1.991
local terms energy: -266.743059
where:
bonds (distance) C4'-P energy: -76.924
bonds (distance) P-C4' energy: -80.569
flat angles C4'-P-C4' energy: -80.848
flat angles P-C4'-P energy: -33.048
tors. eta vs tors. theta energy: 4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1722.036569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.036569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.036569 (E_RNA)
where:
Base-Base interactions energy: -1178.131
where: short stacking energy: -502.547
Base-Backbone interact. energy: -1.290
local terms energy: -542.615073
where:
bonds (distance) C4'-P energy: -105.798
bonds (distance) P-C4' energy: -103.246
flat angles C4'-P-C4' energy: -124.003
flat angles P-C4'-P energy: -72.470
tors. eta vs tors. theta energy: -137.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1637.529779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.529779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.529779 (E_RNA)
where:
Base-Base interactions energy: -1104.883
where: short stacking energy: -456.959
Base-Backbone interact. energy: 0.281
local terms energy: -532.928111
where:
bonds (distance) C4'-P energy: -94.057
bonds (distance) P-C4' energy: -102.223
flat angles C4'-P-C4' energy: -108.707
flat angles P-C4'-P energy: -87.633
tors. eta vs tors. theta energy: -140.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1603.985280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.985280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.985280 (E_RNA)
where:
Base-Base interactions energy: -1090.173
where: short stacking energy: -443.547
Base-Backbone interact. energy: -0.562
local terms energy: -513.250540
where:
bonds (distance) C4'-P energy: -98.072
bonds (distance) P-C4' energy: -100.666
flat angles C4'-P-C4' energy: -109.312
flat angles P-C4'-P energy: -77.786
tors. eta vs tors. theta energy: -127.414
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: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1461.925862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.925862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.925862 (E_RNA)
where:
Base-Base interactions energy: -966.710
where: short stacking energy: -438.247
Base-Backbone interact. energy: 2.127
local terms energy: -497.343013
where:
bonds (distance) C4'-P energy: -80.397
bonds (distance) P-C4' energy: -104.194
flat angles C4'-P-C4' energy: -116.641
flat angles P-C4'-P energy: -68.073
tors. eta vs tors. theta energy: -128.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1288.368171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.368171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.368171 (E_RNA)
where:
Base-Base interactions energy: -845.550
where: short stacking energy: -398.668
Base-Backbone interact. energy: -2.682
local terms energy: -440.136973
where:
bonds (distance) C4'-P energy: -67.057
bonds (distance) P-C4' energy: -102.950
flat angles C4'-P-C4' energy: -114.052
flat angles P-C4'-P energy: -52.344
tors. eta vs tors. theta energy: -103.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1170.144811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.144811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.144811 (E_RNA)
where:
Base-Base interactions energy: -746.699
where: short stacking energy: -348.943
Base-Backbone interact. energy: 3.737
local terms energy: -427.182796
where:
bonds (distance) C4'-P energy: -97.852
bonds (distance) P-C4' energy: -92.471
flat angles C4'-P-C4' energy: -100.671
flat angles P-C4'-P energy: -59.235
tors. eta vs tors. theta energy: -76.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1054.456183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.456183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.456183 (E_RNA)
where:
Base-Base interactions energy: -696.130
where: short stacking energy: -319.991
Base-Backbone interact. energy: 1.038
local terms energy: -359.364712
where:
bonds (distance) C4'-P energy: -77.968
bonds (distance) P-C4' energy: -86.713
flat angles C4'-P-C4' energy: -81.785
flat angles P-C4'-P energy: -53.568
tors. eta vs tors. theta energy: -59.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -919.815701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.815701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.815701 (E_RNA)
where:
Base-Base interactions energy: -517.376
where: short stacking energy: -257.709
Base-Backbone interact. energy: -1.356
local terms energy: -401.083713
where:
bonds (distance) C4'-P energy: -79.636
bonds (distance) P-C4' energy: -99.248
flat angles C4'-P-C4' energy: -93.453
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -71.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -693.530525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.530525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.530525 (E_RNA)
where:
Base-Base interactions energy: -387.442
where: short stacking energy: -191.101
Base-Backbone interact. energy: 0.133
local terms energy: -306.221413
where:
bonds (distance) C4'-P energy: -80.116
bonds (distance) P-C4' energy: -75.515
flat angles C4'-P-C4' energy: -74.569
flat angles P-C4'-P energy: -55.750
tors. eta vs tors. theta energy: -20.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -591.058816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.058816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.058816 (E_RNA)
where:
Base-Base interactions energy: -307.829
where: short stacking energy: -160.462
Base-Backbone interact. energy: -1.573
local terms energy: -281.656044
where:
bonds (distance) C4'-P energy: -82.036
bonds (distance) P-C4' energy: -85.904
flat angles C4'-P-C4' energy: -74.607
flat angles P-C4'-P energy: -34.561
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: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1707.944510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.944510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.944510 (E_RNA)
where:
Base-Base interactions energy: -1172.271
where: short stacking energy: -487.720
Base-Backbone interact. energy: -2.412
local terms energy: -533.261539
where:
bonds (distance) C4'-P energy: -100.984
bonds (distance) P-C4' energy: -102.238
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -64.269
tors. eta vs tors. theta energy: -146.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1648.377914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.377914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.377914 (E_RNA)
where:
Base-Base interactions energy: -1115.760
where: short stacking energy: -483.198
Base-Backbone interact. energy: -2.910
local terms energy: -529.707726
where:
bonds (distance) C4'-P energy: -90.732
bonds (distance) P-C4' energy: -110.818
flat angles C4'-P-C4' energy: -105.285
flat angles P-C4'-P energy: -69.506
tors. eta vs tors. theta energy: -153.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1600.871484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.871484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.871484 (E_RNA)
where:
Base-Base interactions energy: -1094.337
where: short stacking energy: -466.626
Base-Backbone interact. energy: -3.036
local terms energy: -503.498489
where:
bonds (distance) C4'-P energy: -96.662
bonds (distance) P-C4' energy: -88.174
flat angles C4'-P-C4' energy: -111.844
flat angles P-C4'-P energy: -78.874
tors. eta vs tors. theta energy: -127.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1475.019039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.019039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.019039 (E_RNA)
where:
Base-Base interactions energy: -975.653
where: short stacking energy: -450.405
Base-Backbone interact. energy: 0.008
local terms energy: -499.374894
where:
bonds (distance) C4'-P energy: -95.755
bonds (distance) P-C4' energy: -100.210
flat angles C4'-P-C4' energy: -105.007
flat angles P-C4'-P energy: -64.121
tors. eta vs tors. theta energy: -134.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1315.882526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.882526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.882526 (E_RNA)
where:
Base-Base interactions energy: -860.908
where: short stacking energy: -383.057
Base-Backbone interact. energy: 2.073
local terms energy: -457.047326
where:
bonds (distance) C4'-P energy: -79.054
bonds (distance) P-C4' energy: -105.275
flat angles C4'-P-C4' energy: -99.397
flat angles P-C4'-P energy: -69.509
tors. eta vs tors. theta energy: -103.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1131.240996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.240996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.240996 (E_RNA)
where:
Base-Base interactions energy: -718.280
where: short stacking energy: -323.396
Base-Backbone interact. energy: -0.652
local terms energy: -412.308847
where:
bonds (distance) C4'-P energy: -90.970
bonds (distance) P-C4' energy: -98.576
flat angles C4'-P-C4' energy: -84.349
flat angles P-C4'-P energy: -57.908
tors. eta vs tors. theta energy: -80.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1095.986750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.986750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.986750 (E_RNA)
where:
Base-Base interactions energy: -728.032
where: short stacking energy: -301.421
Base-Backbone interact. energy: -3.504
local terms energy: -364.450678
where:
bonds (distance) C4'-P energy: -73.964
bonds (distance) P-C4' energy: -85.409
flat angles C4'-P-C4' energy: -86.212
flat angles P-C4'-P energy: -56.381
tors. eta vs tors. theta energy: -62.485
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: 1
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -882.282863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.282863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.282863 (E_RNA)
where:
Base-Base interactions energy: -538.112
where: short stacking energy: -242.843
Base-Backbone interact. energy: -1.119
local terms energy: -343.051219
where:
bonds (distance) C4'-P energy: -77.712
bonds (distance) P-C4' energy: -96.869
flat angles C4'-P-C4' energy: -76.233
flat angles P-C4'-P energy: -41.399
tors. eta vs tors. theta energy: -50.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -609.851571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.851571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.851571 (E_RNA)
where:
Base-Base interactions energy: -310.913
where: short stacking energy: -160.131
Base-Backbone interact. energy: -1.399
local terms energy: -297.539363
where:
bonds (distance) C4'-P energy: -91.615
bonds (distance) P-C4' energy: -92.173
flat angles C4'-P-C4' energy: -71.109
flat angles P-C4'-P energy: -52.463
tors. eta vs tors. theta energy: 9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -609.960782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.960782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.960782 (E_RNA)
where:
Base-Base interactions energy: -316.154
where: short stacking energy: -148.446
Base-Backbone interact. energy: 2.905
local terms energy: -296.712274
where:
bonds (distance) C4'-P energy: -87.623
bonds (distance) P-C4' energy: -88.755
flat angles C4'-P-C4' energy: -61.856
flat angles P-C4'-P energy: -52.685
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1730.804338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.804338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.804338 (E_RNA)
where:
Base-Base interactions energy: -1181.543
where: short stacking energy: -514.309
Base-Backbone interact. energy: -2.703
local terms energy: -546.558737
where:
bonds (distance) C4'-P energy: -107.361
bonds (distance) P-C4' energy: -102.646
flat angles C4'-P-C4' energy: -113.041
flat angles P-C4'-P energy: -82.544
tors. eta vs tors. theta energy: -140.967
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: 2, replica: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1656.093971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.093971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.093971 (E_RNA)
where:
Base-Base interactions energy: -1109.455
where: short stacking energy: -459.329
Base-Backbone interact. energy: -0.278
local terms energy: -546.360303
where:
bonds (distance) C4'-P energy: -100.940
bonds (distance) P-C4' energy: -99.053
flat angles C4'-P-C4' energy: -120.404
flat angles P-C4'-P energy: -88.860
tors. eta vs tors. theta energy: -137.103
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: 3, replica: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1594.306707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.306707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.306707 (E_RNA)
where:
Base-Base interactions energy: -1090.577
where: short stacking energy: -456.075
Base-Backbone interact. energy: -6.936
local terms energy: -496.793085
where:
bonds (distance) C4'-P energy: -92.837
bonds (distance) P-C4' energy: -101.977
flat angles C4'-P-C4' energy: -109.018
flat angles P-C4'-P energy: -58.345
tors. eta vs tors. theta energy: -134.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1468.905572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.905572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.905572 (E_RNA)
where:
Base-Base interactions energy: -970.967
where: short stacking energy: -434.279
Base-Backbone interact. energy: -0.343
local terms energy: -497.594703
where:
bonds (distance) C4'-P energy: -97.786
bonds (distance) P-C4' energy: -93.087
flat angles C4'-P-C4' energy: -107.474
flat angles P-C4'-P energy: -70.110
tors. eta vs tors. theta energy: -129.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1345.099665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.099665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.099665 (E_RNA)
where:
Base-Base interactions energy: -901.767
where: short stacking energy: -394.750
Base-Backbone interact. energy: -3.531
local terms energy: -439.801605
where:
bonds (distance) C4'-P energy: -89.947
bonds (distance) P-C4' energy: -98.426
flat angles C4'-P-C4' energy: -87.976
flat angles P-C4'-P energy: -62.805
tors. eta vs tors. theta energy: -100.649
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: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1168.759880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.759880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.759880 (E_RNA)
where:
Base-Base interactions energy: -747.433
where: short stacking energy: -348.019
Base-Backbone interact. energy: -1.350
local terms energy: -419.976878
where:
bonds (distance) C4'-P energy: -88.381
bonds (distance) P-C4' energy: -88.537
flat angles C4'-P-C4' energy: -97.194
flat angles P-C4'-P energy: -69.275
tors. eta vs tors. theta energy: -76.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1066.661710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.661710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.661710 (E_RNA)
where:
Base-Base interactions energy: -672.059
where: short stacking energy: -301.205
Base-Backbone interact. energy: -1.566
local terms energy: -393.036000
where:
bonds (distance) C4'-P energy: -87.023
bonds (distance) P-C4' energy: -95.043
flat angles C4'-P-C4' energy: -91.797
flat angles P-C4'-P energy: -67.020
tors. eta vs tors. theta energy: -52.154
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: 8, replica: 1
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -893.977709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.977709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.977709 (E_RNA)
where:
Base-Base interactions energy: -536.360
where: short stacking energy: -267.972
Base-Backbone interact. energy: -2.653
local terms energy: -354.965577
where:
bonds (distance) C4'-P energy: -80.429
bonds (distance) P-C4' energy: -86.962
flat angles C4'-P-C4' energy: -82.463
flat angles P-C4'-P energy: -59.278
tors. eta vs tors. theta energy: -45.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -578.676761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.676761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.676761 (E_RNA)
where:
Base-Base interactions energy: -295.801
where: short stacking energy: -170.239
Base-Backbone interact. energy: -2.038
local terms energy: -280.837501
where:
bonds (distance) C4'-P energy: -91.759
bonds (distance) P-C4' energy: -89.514
flat angles C4'-P-C4' energy: -54.553
flat angles P-C4'-P energy: -39.017
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -585.753323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.753323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.753323 (E_RNA)
where:
Base-Base interactions energy: -295.831
where: short stacking energy: -126.920
Base-Backbone interact. energy: -0.527
local terms energy: -289.394808
where:
bonds (distance) C4'-P energy: -79.737
bonds (distance) P-C4' energy: -96.224
flat angles C4'-P-C4' energy: -84.250
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: 5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1705.805182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.805182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.805182 (E_RNA)
where:
Base-Base interactions energy: -1168.750
where: short stacking energy: -507.641
Base-Backbone interact. energy: -2.327
local terms energy: -534.728501
where:
bonds (distance) C4'-P energy: -101.384
bonds (distance) P-C4' energy: -101.251
flat angles C4'-P-C4' energy: -115.066
flat angles P-C4'-P energy: -78.777
tors. eta vs tors. theta energy: -138.250
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: 2, replica: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1640.107050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.107050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.107050 (E_RNA)
where:
Base-Base interactions energy: -1135.277
where: short stacking energy: -477.947
Base-Backbone interact. energy: -1.460
local terms energy: -503.369823
where:
bonds (distance) C4'-P energy: -95.778
bonds (distance) P-C4' energy: -97.686
flat angles C4'-P-C4' energy: -112.485
flat angles P-C4'-P energy: -65.214
tors. eta vs tors. theta energy: -132.207
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: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1592.527017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.527017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.527017 (E_RNA)
where:
Base-Base interactions energy: -1089.974
where: short stacking energy: -476.977
Base-Backbone interact. energy: -2.779
local terms energy: -499.773951
where:
bonds (distance) C4'-P energy: -88.092
bonds (distance) P-C4' energy: -97.535
flat angles C4'-P-C4' energy: -112.012
flat angles P-C4'-P energy: -72.535
tors. eta vs tors. theta energy: -129.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1479.043576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.043576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.043576 (E_RNA)
where:
Base-Base interactions energy: -973.769
where: short stacking energy: -444.010
Base-Backbone interact. energy: -1.121
local terms energy: -504.153973
where:
bonds (distance) C4'-P energy: -95.273
bonds (distance) P-C4' energy: -92.658
flat angles C4'-P-C4' energy: -106.098
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -130.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1393.146824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.146824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.146824 (E_RNA)
where:
Base-Base interactions energy: -948.273
where: short stacking energy: -401.793
Base-Backbone interact. energy: -2.050
local terms energy: -442.823588
where:
bonds (distance) C4'-P energy: -96.256
bonds (distance) P-C4' energy: -77.770
flat angles C4'-P-C4' energy: -108.658
flat angles P-C4'-P energy: -58.699
tors. eta vs tors. theta energy: -101.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1180.686739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.686739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.686739 (E_RNA)
where:
Base-Base interactions energy: -762.212
where: short stacking energy: -341.050
Base-Backbone interact. energy: -0.183
local terms energy: -418.291951
where:
bonds (distance) C4'-P energy: -97.155
bonds (distance) P-C4' energy: -87.570
flat angles C4'-P-C4' energy: -87.189
flat angles P-C4'-P energy: -63.888
tors. eta vs tors. theta energy: -82.490
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: 7, replica: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1066.764259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.764259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.764259 (E_RNA)
where:
Base-Base interactions energy: -683.356
where: short stacking energy: -305.470
Base-Backbone interact. energy: 0.306
local terms energy: -383.714020
where:
bonds (distance) C4'-P energy: -88.615
bonds (distance) P-C4' energy: -88.432
flat angles C4'-P-C4' energy: -99.549
flat angles P-C4'-P energy: -43.973
tors. eta vs tors. theta energy: -63.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -886.634237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.634237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.634237 (E_RNA)
where:
Base-Base interactions energy: -517.155
where: short stacking energy: -259.673
Base-Backbone interact. energy: 0.478
local terms energy: -369.957296
where:
bonds (distance) C4'-P energy: -80.934
bonds (distance) P-C4' energy: -90.920
flat angles C4'-P-C4' energy: -98.844
flat angles P-C4'-P energy: -49.594
tors. eta vs tors. theta energy: -49.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -675.970269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.970269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.970269 (E_RNA)
where:
Base-Base interactions energy: -355.878
where: short stacking energy: -197.148
Base-Backbone interact. energy: 0.189
local terms energy: -320.280602
where:
bonds (distance) C4'-P energy: -87.895
bonds (distance) P-C4' energy: -84.527
flat angles C4'-P-C4' energy: -79.236
flat angles P-C4'-P energy: -43.921
tors. eta vs tors. theta energy: -24.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -563.429706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.429706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.429706 (E_RNA)
where:
Base-Base interactions energy: -288.856
where: short stacking energy: -143.780
Base-Backbone interact. energy: 1.337
local terms energy: -275.910432
where:
bonds (distance) C4'-P energy: -60.686
bonds (distance) P-C4' energy: -97.038
flat angles C4'-P-C4' energy: -83.802
flat angles P-C4'-P energy: -38.809
tors. eta vs tors. theta energy: 4.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1728.448371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.448371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.448371 (E_RNA)
where:
Base-Base interactions energy: -1174.336
where: short stacking energy: -505.651
Base-Backbone interact. energy: -0.824
local terms energy: -553.287796
where:
bonds (distance) C4'-P energy: -104.391
bonds (distance) P-C4' energy: -101.998
flat angles C4'-P-C4' energy: -113.658
flat angles P-C4'-P energy: -83.183
tors. eta vs tors. theta energy: -150.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1682.174903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.174903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.174903 (E_RNA)
where:
Base-Base interactions energy: -1142.759
where: short stacking energy: -491.599
Base-Backbone interact. energy: -1.598
local terms energy: -537.818654
where:
bonds (distance) C4'-P energy: -101.353
bonds (distance) P-C4' energy: -95.953
flat angles C4'-P-C4' energy: -115.540
flat angles P-C4'-P energy: -82.009
tors. eta vs tors. theta energy: -142.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1581.655185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.655185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.655185 (E_RNA)
where:
Base-Base interactions energy: -1081.570
where: short stacking energy: -435.624
Base-Backbone interact. energy: 1.984
local terms energy: -502.069201
where:
bonds (distance) C4'-P energy: -95.139
bonds (distance) P-C4' energy: -103.272
flat angles C4'-P-C4' energy: -114.650
flat angles P-C4'-P energy: -72.968
tors. eta vs tors. theta energy: -116.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1478.149876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.149876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.149876 (E_RNA)
where:
Base-Base interactions energy: -975.450
where: short stacking energy: -430.020
Base-Backbone interact. energy: 2.208
local terms energy: -504.907938
where:
bonds (distance) C4'-P energy: -92.644
bonds (distance) P-C4' energy: -97.763
flat angles C4'-P-C4' energy: -104.859
flat angles P-C4'-P energy: -80.544
tors. eta vs tors. theta energy: -129.098
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: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1388.098118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.098118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.098118 (E_RNA)
where:
Base-Base interactions energy: -919.909
where: short stacking energy: -398.140
Base-Backbone interact. energy: -0.817
local terms energy: -467.371931
where:
bonds (distance) C4'-P energy: -101.864
bonds (distance) P-C4' energy: -94.142
flat angles C4'-P-C4' energy: -93.738
flat angles P-C4'-P energy: -69.008
tors. eta vs tors. theta energy: -108.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1198.549404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.549404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.549404 (E_RNA)
where:
Base-Base interactions energy: -772.347
where: short stacking energy: -321.039
Base-Backbone interact. energy: 4.896
local terms energy: -431.098779
where:
bonds (distance) C4'-P energy: -100.251
bonds (distance) P-C4' energy: -83.098
flat angles C4'-P-C4' energy: -91.814
flat angles P-C4'-P energy: -62.622
tors. eta vs tors. theta energy: -93.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1064.449131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.449131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.449131 (E_RNA)
where:
Base-Base interactions energy: -684.505
where: short stacking energy: -296.591
Base-Backbone interact. energy: -2.793
local terms energy: -377.151160
where:
bonds (distance) C4'-P energy: -66.891
bonds (distance) P-C4' energy: -95.689
flat angles C4'-P-C4' energy: -81.815
flat angles P-C4'-P energy: -76.942
tors. eta vs tors. theta energy: -55.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -856.109002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.109002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.109002 (E_RNA)
where:
Base-Base interactions energy: -501.058
where: short stacking energy: -241.325
Base-Backbone interact. energy: -0.299
local terms energy: -354.751337
where:
bonds (distance) C4'-P energy: -97.829
bonds (distance) P-C4' energy: -81.751
flat angles C4'-P-C4' energy: -89.689
flat angles P-C4'-P energy: -51.849
tors. eta vs tors. theta energy: -33.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -696.756467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.756467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.756467 (E_RNA)
where:
Base-Base interactions energy: -387.203
where: short stacking energy: -207.053
Base-Backbone interact. energy: 1.902
local terms energy: -311.455123
where:
bonds (distance) C4'-P energy: -82.925
bonds (distance) P-C4' energy: -98.634
flat angles C4'-P-C4' energy: -67.817
flat angles P-C4'-P energy: -46.401
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -542.475934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.475934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.475934 (E_RNA)
where:
Base-Base interactions energy: -249.206
where: short stacking energy: -156.043
Base-Backbone interact. energy: -0.347
local terms energy: -292.923670
where:
bonds (distance) C4'-P energy: -73.977
bonds (distance) P-C4' energy: -106.881
flat angles C4'-P-C4' energy: -70.948
flat angles P-C4'-P energy: -39.717
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1719.228996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.228996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.228996 (E_RNA)
where:
Base-Base interactions energy: -1186.256
where: short stacking energy: -496.360
Base-Backbone interact. energy: -2.054
local terms energy: -530.918398
where:
bonds (distance) C4'-P energy: -101.771
bonds (distance) P-C4' energy: -103.965
flat angles C4'-P-C4' energy: -111.756
flat angles P-C4'-P energy: -73.405
tors. eta vs tors. theta energy: -140.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1657.588688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.588688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.588688 (E_RNA)
where:
Base-Base interactions energy: -1130.348
where: short stacking energy: -472.470
Base-Backbone interact. energy: -1.870
local terms energy: -525.370396
where:
bonds (distance) C4'-P energy: -95.556
bonds (distance) P-C4' energy: -105.514
flat angles C4'-P-C4' energy: -117.738
flat angles P-C4'-P energy: -74.743
tors. eta vs tors. theta energy: -131.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1560.565431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.565431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.565431 (E_RNA)
where:
Base-Base interactions energy: -1053.699
where: short stacking energy: -434.145
Base-Backbone interact. energy: -2.125
local terms energy: -504.741321
where:
bonds (distance) C4'-P energy: -98.000
bonds (distance) P-C4' energy: -95.040
flat angles C4'-P-C4' energy: -117.560
flat angles P-C4'-P energy: -71.208
tors. eta vs tors. theta energy: -122.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1467.355019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.355019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.355019 (E_RNA)
where:
Base-Base interactions energy: -986.703
where: short stacking energy: -444.524
Base-Backbone interact. energy: 0.477
local terms energy: -481.129260
where:
bonds (distance) C4'-P energy: -90.037
bonds (distance) P-C4' energy: -97.405
flat angles C4'-P-C4' energy: -96.828
flat angles P-C4'-P energy: -69.317
tors. eta vs tors. theta energy: -127.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1370.879969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.879969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.879969 (E_RNA)
where:
Base-Base interactions energy: -935.318
where: short stacking energy: -376.714
Base-Backbone interact. energy: 1.539
local terms energy: -437.101811
where:
bonds (distance) C4'-P energy: -81.564
bonds (distance) P-C4' energy: -97.645
flat angles C4'-P-C4' energy: -95.388
flat angles P-C4'-P energy: -59.798
tors. eta vs tors. theta energy: -102.706
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: 6, replica: 9
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1227.754335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.754335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.754335 (E_RNA)
where:
Base-Base interactions energy: -793.289
where: short stacking energy: -337.964
Base-Backbone interact. energy: -0.387
local terms energy: -434.078183
where:
bonds (distance) C4'-P energy: -80.174
bonds (distance) P-C4' energy: -108.506
flat angles C4'-P-C4' energy: -94.148
flat angles P-C4'-P energy: -58.088
tors. eta vs tors. theta energy: -93.162
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: 3
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1043.162414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.162414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.162414 (E_RNA)
where:
Base-Base interactions energy: -674.154
where: short stacking energy: -294.509
Base-Backbone interact. energy: -3.381
local terms energy: -365.627043
where:
bonds (distance) C4'-P energy: -101.834
bonds (distance) P-C4' energy: -94.072
flat angles C4'-P-C4' energy: -73.471
flat angles P-C4'-P energy: -49.569
tors. eta vs tors. theta energy: -46.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -815.178651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.178651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.178651 (E_RNA)
where:
Base-Base interactions energy: -489.395
where: short stacking energy: -255.919
Base-Backbone interact. energy: -2.113
local terms energy: -323.670468
where:
bonds (distance) C4'-P energy: -74.093
bonds (distance) P-C4' energy: -74.741
flat angles C4'-P-C4' energy: -83.627
flat angles P-C4'-P energy: -52.733
tors. eta vs tors. theta energy: -38.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -661.995262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.995262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.995262 (E_RNA)
where:
Base-Base interactions energy: -347.554
where: short stacking energy: -183.758
Base-Backbone interact. energy: -0.140
local terms energy: -314.300942
where:
bonds (distance) C4'-P energy: -80.787
bonds (distance) P-C4' energy: -82.983
flat angles C4'-P-C4' energy: -81.752
flat angles P-C4'-P energy: -53.841
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -575.467167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.467167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.467167 (E_RNA)
where:
Base-Base interactions energy: -303.512
where: short stacking energy: -153.784
Base-Backbone interact. energy: 0.555
local terms energy: -272.509805
where:
bonds (distance) C4'-P energy: -76.745
bonds (distance) P-C4' energy: -66.973
flat angles C4'-P-C4' energy: -84.036
flat angles P-C4'-P energy: -43.426
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1723.714721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.714721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.714721 (E_RNA)
where:
Base-Base interactions energy: -1173.777
where: short stacking energy: -518.067
Base-Backbone interact. energy: 0.144
local terms energy: -550.081942
where:
bonds (distance) C4'-P energy: -97.632
bonds (distance) P-C4' energy: -106.112
flat angles C4'-P-C4' energy: -124.335
flat angles P-C4'-P energy: -75.312
tors. eta vs tors. theta energy: -146.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1641.344536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.344536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.344536 (E_RNA)
where:
Base-Base interactions energy: -1114.457
where: short stacking energy: -467.761
Base-Backbone interact. energy: -0.694
local terms energy: -526.194030
where:
bonds (distance) C4'-P energy: -106.110
bonds (distance) P-C4' energy: -95.324
flat angles C4'-P-C4' energy: -123.852
flat angles P-C4'-P energy: -66.794
tors. eta vs tors. theta energy: -134.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1579.016537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.016537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.016537 (E_RNA)
where:
Base-Base interactions energy: -1064.271
where: short stacking energy: -437.529
Base-Backbone interact. energy: -2.254
local terms energy: -512.491304
where:
bonds (distance) C4'-P energy: -92.383
bonds (distance) P-C4' energy: -101.081
flat angles C4'-P-C4' energy: -103.463
flat angles P-C4'-P energy: -84.008
tors. eta vs tors. theta energy: -131.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1422.405915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.405915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.405915 (E_RNA)
where:
Base-Base interactions energy: -927.457
where: short stacking energy: -429.686
Base-Backbone interact. energy: -2.452
local terms energy: -492.497070
where:
bonds (distance) C4'-P energy: -88.026
bonds (distance) P-C4' energy: -96.704
flat angles C4'-P-C4' energy: -113.569
flat angles P-C4'-P energy: -67.110
tors. eta vs tors. theta energy: -127.088
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: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1394.873698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.873698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.873698 (E_RNA)
where:
Base-Base interactions energy: -959.701
where: short stacking energy: -386.027
Base-Backbone interact. energy: -3.585
local terms energy: -431.587984
where:
bonds (distance) C4'-P energy: -81.229
bonds (distance) P-C4' energy: -82.829
flat angles C4'-P-C4' energy: -104.839
flat angles P-C4'-P energy: -57.701
tors. eta vs tors. theta energy: -104.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1096.870327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.870327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.870327 (E_RNA)
where:
Base-Base interactions energy: -723.801
where: short stacking energy: -286.606
Base-Backbone interact. energy: -1.803
local terms energy: -371.266835
where:
bonds (distance) C4'-P energy: -81.789
bonds (distance) P-C4' energy: -89.600
flat angles C4'-P-C4' energy: -77.599
flat angles P-C4'-P energy: -69.334
tors. eta vs tors. theta energy: -52.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1122.596231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.596231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.596231 (E_RNA)
where:
Base-Base interactions energy: -711.124
where: short stacking energy: -304.507
Base-Backbone interact. energy: -1.866
local terms energy: -409.605821
where:
bonds (distance) C4'-P energy: -97.465
bonds (distance) P-C4' energy: -98.145
flat angles C4'-P-C4' energy: -89.604
flat angles P-C4'-P energy: -63.693
tors. eta vs tors. theta energy: -60.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -805.864095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.864095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.864095 (E_RNA)
where:
Base-Base interactions energy: -466.353
where: short stacking energy: -228.069
Base-Backbone interact. energy: -0.804
local terms energy: -338.706262
where:
bonds (distance) C4'-P energy: -90.597
bonds (distance) P-C4' energy: -89.142
flat angles C4'-P-C4' energy: -89.187
flat angles P-C4'-P energy: -44.374
tors. eta vs tors. theta energy: -25.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -658.373591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.373591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.373591 (E_RNA)
where:
Base-Base interactions energy: -342.457
where: short stacking energy: -186.216
Base-Backbone interact. energy: -0.044
local terms energy: -315.872941
where:
bonds (distance) C4'-P energy: -82.105
bonds (distance) P-C4' energy: -94.295
flat angles C4'-P-C4' energy: -79.375
flat angles P-C4'-P energy: -47.785
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -638.575367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.575367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.575367 (E_RNA)
where:
Base-Base interactions energy: -319.365
where: short stacking energy: -159.373
Base-Backbone interact. energy: 4.563
local terms energy: -323.772974
where:
bonds (distance) C4'-P energy: -91.604
bonds (distance) P-C4' energy: -86.689
flat angles C4'-P-C4' energy: -97.261
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1715.643949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.643949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.643949 (E_RNA)
where:
Base-Base interactions energy: -1170.449
where: short stacking energy: -497.568
Base-Backbone interact. energy: -1.106
local terms energy: -544.089192
where:
bonds (distance) C4'-P energy: -92.579
bonds (distance) P-C4' energy: -111.794
flat angles C4'-P-C4' energy: -115.513
flat angles P-C4'-P energy: -78.817
tors. eta vs tors. theta energy: -145.386
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: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1659.962984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.962984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.962984 (E_RNA)
where:
Base-Base interactions energy: -1125.136
where: short stacking energy: -483.803
Base-Backbone interact. energy: -3.897
local terms energy: -530.930298
where:
bonds (distance) C4'-P energy: -99.356
bonds (distance) P-C4' energy: -97.981
flat angles C4'-P-C4' energy: -114.773
flat angles P-C4'-P energy: -80.565
tors. eta vs tors. theta energy: -138.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1602.742395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.742395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.742395 (E_RNA)
where:
Base-Base interactions energy: -1072.720
where: short stacking energy: -432.071
Base-Backbone interact. energy: -1.011
local terms energy: -529.011603
where:
bonds (distance) C4'-P energy: -108.572
bonds (distance) P-C4' energy: -108.892
flat angles C4'-P-C4' energy: -108.715
flat angles P-C4'-P energy: -81.546
tors. eta vs tors. theta energy: -121.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1446.549037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.549037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.549037 (E_RNA)
where:
Base-Base interactions energy: -953.614
where: short stacking energy: -418.946
Base-Backbone interact. energy: 0.419
local terms energy: -493.354435
where:
bonds (distance) C4'-P energy: -99.659
bonds (distance) P-C4' energy: -89.058
flat angles C4'-P-C4' energy: -109.645
flat angles P-C4'-P energy: -73.571
tors. eta vs tors. theta energy: -121.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1348.249616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.249616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.249616 (E_RNA)
where:
Base-Base interactions energy: -903.673
where: short stacking energy: -357.223
Base-Backbone interact. energy: -1.845
local terms energy: -442.731590
where:
bonds (distance) C4'-P energy: -91.719
bonds (distance) P-C4' energy: -80.854
flat angles C4'-P-C4' energy: -104.283
flat angles P-C4'-P energy: -60.075
tors. eta vs tors. theta energy: -105.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1142.982339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.982339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.982339 (E_RNA)
where:
Base-Base interactions energy: -761.105
where: short stacking energy: -328.770
Base-Backbone interact. energy: -2.392
local terms energy: -379.485217
where:
bonds (distance) C4'-P energy: -85.711
bonds (distance) P-C4' energy: -76.478
flat angles C4'-P-C4' energy: -95.465
flat angles P-C4'-P energy: -44.654
tors. eta vs tors. theta energy: -77.177
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: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1094.844744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.844744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.844744 (E_RNA)
where:
Base-Base interactions energy: -716.311
where: short stacking energy: -306.719
Base-Backbone interact. energy: -1.346
local terms energy: -377.187292
where:
bonds (distance) C4'-P energy: -80.160
bonds (distance) P-C4' energy: -91.868
flat angles C4'-P-C4' energy: -99.376
flat angles P-C4'-P energy: -49.955
tors. eta vs tors. theta energy: -55.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -918.519414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.519414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.519414 (E_RNA)
where:
Base-Base interactions energy: -555.230
where: short stacking energy: -274.755
Base-Backbone interact. energy: 0.014
local terms energy: -363.303367
where:
bonds (distance) C4'-P energy: -83.759
bonds (distance) P-C4' energy: -88.031
flat angles C4'-P-C4' energy: -88.648
flat angles P-C4'-P energy: -51.019
tors. eta vs tors. theta energy: -51.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -639.762971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.762971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.762971 (E_RNA)
where:
Base-Base interactions energy: -340.726
where: short stacking energy: -179.619
Base-Backbone interact. energy: -0.092
local terms energy: -298.945630
where:
bonds (distance) C4'-P energy: -87.048
bonds (distance) P-C4' energy: -86.360
flat angles C4'-P-C4' energy: -87.912
flat angles P-C4'-P energy: -27.848
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -588.387307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.387307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.387307 (E_RNA)
where:
Base-Base interactions energy: -285.697
where: short stacking energy: -159.122
Base-Backbone interact. energy: -2.498
local terms energy: -300.192343
where:
bonds (distance) C4'-P energy: -85.180
bonds (distance) P-C4' energy: -74.555
flat angles C4'-P-C4' energy: -71.220
flat angles P-C4'-P energy: -63.318
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1756.068183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.068183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.068183 (E_RNA)
where:
Base-Base interactions energy: -1191.352
where: short stacking energy: -492.991
Base-Backbone interact. energy: 1.038
local terms energy: -565.753568
where:
bonds (distance) C4'-P energy: -111.504
bonds (distance) P-C4' energy: -104.724
flat angles C4'-P-C4' energy: -122.856
flat angles P-C4'-P energy: -78.728
tors. eta vs tors. theta energy: -147.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1650.219361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.219361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.219361 (E_RNA)
where:
Base-Base interactions energy: -1125.498
where: short stacking energy: -467.580
Base-Backbone interact. energy: -2.174
local terms energy: -522.547494
where:
bonds (distance) C4'-P energy: -105.917
bonds (distance) P-C4' energy: -98.228
flat angles C4'-P-C4' energy: -109.953
flat angles P-C4'-P energy: -72.133
tors. eta vs tors. theta energy: -136.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1571.053393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.053393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.053393 (E_RNA)
where:
Base-Base interactions energy: -1042.194
where: short stacking energy: -436.347
Base-Backbone interact. energy: -4.197
local terms energy: -524.662146
where:
bonds (distance) C4'-P energy: -111.047
bonds (distance) P-C4' energy: -102.920
flat angles C4'-P-C4' energy: -113.032
flat angles P-C4'-P energy: -65.008
tors. eta vs tors. theta energy: -132.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1431.780016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.780016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.780016 (E_RNA)
where:
Base-Base interactions energy: -935.550
where: short stacking energy: -411.030
Base-Backbone interact. energy: 0.017
local terms energy: -496.247010
where:
bonds (distance) C4'-P energy: -95.973
bonds (distance) P-C4' energy: -90.039
flat angles C4'-P-C4' energy: -102.803
flat angles P-C4'-P energy: -78.326
tors. eta vs tors. theta energy: -129.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1346.076346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.076346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.076346 (E_RNA)
where:
Base-Base interactions energy: -913.946
where: short stacking energy: -368.698
Base-Backbone interact. energy: -2.321
local terms energy: -429.809304
where:
bonds (distance) C4'-P energy: -85.004
bonds (distance) P-C4' energy: -83.286
flat angles C4'-P-C4' energy: -97.006
flat angles P-C4'-P energy: -65.272
tors. eta vs tors. theta energy: -99.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1158.826777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.826777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.826777 (E_RNA)
where:
Base-Base interactions energy: -746.425
where: short stacking energy: -334.008
Base-Backbone interact. energy: 0.128
local terms energy: -412.529413
where:
bonds (distance) C4'-P energy: -87.513
bonds (distance) P-C4' energy: -92.426
flat angles C4'-P-C4' energy: -94.633
flat angles P-C4'-P energy: -52.588
tors. eta vs tors. theta energy: -85.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1065.051034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.051034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.051034 (E_RNA)
where:
Base-Base interactions energy: -674.499
where: short stacking energy: -304.180
Base-Backbone interact. energy: -2.364
local terms energy: -388.305292
where:
bonds (distance) C4'-P energy: -92.041
bonds (distance) P-C4' energy: -84.160
flat angles C4'-P-C4' energy: -87.505
flat angles P-C4'-P energy: -60.458
tors. eta vs tors. theta energy: -64.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -911.011002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.011002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.011002 (E_RNA)
where:
Base-Base interactions energy: -551.939
where: short stacking energy: -247.855
Base-Backbone interact. energy: -2.433
local terms energy: -356.638824
where:
bonds (distance) C4'-P energy: -73.826
bonds (distance) P-C4' energy: -75.746
flat angles C4'-P-C4' energy: -88.693
flat angles P-C4'-P energy: -69.045
tors. eta vs tors. theta energy: -49.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -641.862249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.862249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.862249 (E_RNA)
where:
Base-Base interactions energy: -337.590
where: short stacking energy: -165.936
Base-Backbone interact. energy: 2.845
local terms energy: -307.117602
where:
bonds (distance) C4'-P energy: -86.190
bonds (distance) P-C4' energy: -94.736
flat angles C4'-P-C4' energy: -79.587
flat angles P-C4'-P energy: -41.443
tors. eta vs tors. theta energy: -5.162
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: 10, replica: 7
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -610.411898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.411898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.411898 (E_RNA)
where:
Base-Base interactions energy: -317.266
where: short stacking energy: -179.704
Base-Backbone interact. energy: 0.503
local terms energy: -293.649004
where:
bonds (distance) C4'-P energy: -69.384
bonds (distance) P-C4' energy: -82.965
flat angles C4'-P-C4' energy: -81.348
flat angles P-C4'-P energy: -37.007
tors. eta vs tors. theta energy: -22.944
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: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1735.102708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.102708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.102708 (E_RNA)
where:
Base-Base interactions energy: -1175.976
where: short stacking energy: -510.841
Base-Backbone interact. energy: -1.018
local terms energy: -558.108833
where:
bonds (distance) C4'-P energy: -94.822
bonds (distance) P-C4' energy: -105.589
flat angles C4'-P-C4' energy: -115.787
flat angles P-C4'-P energy: -88.961
tors. eta vs tors. theta energy: -152.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1649.852713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.852713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.852713 (E_RNA)
where:
Base-Base interactions energy: -1126.066
where: short stacking energy: -475.672
Base-Backbone interact. energy: 0.227
local terms energy: -524.013765
where:
bonds (distance) C4'-P energy: -95.714
bonds (distance) P-C4' energy: -102.229
flat angles C4'-P-C4' energy: -107.331
flat angles P-C4'-P energy: -76.479
tors. eta vs tors. theta energy: -142.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1551.333834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.333834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.333834 (E_RNA)
where:
Base-Base interactions energy: -1038.111
where: short stacking energy: -426.161
Base-Backbone interact. energy: 0.578
local terms energy: -513.800723
where:
bonds (distance) C4'-P energy: -93.086
bonds (distance) P-C4' energy: -104.426
flat angles C4'-P-C4' energy: -107.739
flat angles P-C4'-P energy: -79.666
tors. eta vs tors. theta energy: -128.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1495.602679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.602679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.602679 (E_RNA)
where:
Base-Base interactions energy: -999.661
where: short stacking energy: -446.495
Base-Backbone interact. energy: 4.688
local terms energy: -500.629220
where:
bonds (distance) C4'-P energy: -92.881
bonds (distance) P-C4' energy: -98.374
flat angles C4'-P-C4' energy: -103.741
flat angles P-C4'-P energy: -72.960
tors. eta vs tors. theta energy: -132.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1340.538328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.538328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.538328 (E_RNA)
where:
Base-Base interactions energy: -921.384
where: short stacking energy: -385.537
Base-Backbone interact. energy: -2.088
local terms energy: -417.066908
where:
bonds (distance) C4'-P energy: -76.513
bonds (distance) P-C4' energy: -83.346
flat angles C4'-P-C4' energy: -99.418
flat angles P-C4'-P energy: -61.032
tors. eta vs tors. theta energy: -96.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1133.385680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.385680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.385680 (E_RNA)
where:
Base-Base interactions energy: -728.259
where: short stacking energy: -325.361
Base-Backbone interact. energy: -1.894
local terms energy: -403.233579
where:
bonds (distance) C4'-P energy: -93.974
bonds (distance) P-C4' energy: -90.142
flat angles C4'-P-C4' energy: -94.953
flat angles P-C4'-P energy: -53.581
tors. eta vs tors. theta energy: -70.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1062.062763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.062763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.062763 (E_RNA)
where:
Base-Base interactions energy: -697.139
where: short stacking energy: -309.554
Base-Backbone interact. energy: -1.279
local terms energy: -363.644799
where:
bonds (distance) C4'-P energy: -79.168
bonds (distance) P-C4' energy: -92.585
flat angles C4'-P-C4' energy: -86.737
flat angles P-C4'-P energy: -44.970
tors. eta vs tors. theta energy: -60.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -931.138470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.138470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.138470 (E_RNA)
where:
Base-Base interactions energy: -580.284
where: short stacking energy: -260.659
Base-Backbone interact. energy: 1.215
local terms energy: -352.069147
where:
bonds (distance) C4'-P energy: -86.668
bonds (distance) P-C4' energy: -97.024
flat angles C4'-P-C4' energy: -80.255
flat angles P-C4'-P energy: -43.894
tors. eta vs tors. theta energy: -44.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -678.563467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.563467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.563467 (E_RNA)
where:
Base-Base interactions energy: -375.355
where: short stacking energy: -185.495
Base-Backbone interact. energy: -0.384
local terms energy: -302.824064
where:
bonds (distance) C4'-P energy: -80.559
bonds (distance) P-C4' energy: -92.915
flat angles C4'-P-C4' energy: -72.476
flat angles P-C4'-P energy: -43.556
tors. eta vs tors. theta energy: -13.318
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: 7
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -571.149733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.149733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.149733 (E_RNA)
where:
Base-Base interactions energy: -296.195
where: short stacking energy: -164.183
Base-Backbone interact. energy: 3.803
local terms energy: -278.757679
where:
bonds (distance) C4'-P energy: -66.427
bonds (distance) P-C4' energy: -79.179
flat angles C4'-P-C4' energy: -87.485
flat angles P-C4'-P energy: -41.255
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1706.872304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.872304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.872304 (E_RNA)
where:
Base-Base interactions energy: -1165.749
where: short stacking energy: -497.379
Base-Backbone interact. energy: -1.615
local terms energy: -539.508220
where:
bonds (distance) C4'-P energy: -106.964
bonds (distance) P-C4' energy: -99.210
flat angles C4'-P-C4' energy: -111.555
flat angles P-C4'-P energy: -76.129
tors. eta vs tors. theta energy: -145.651
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: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1630.712748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.712748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.712748 (E_RNA)
where:
Base-Base interactions energy: -1114.434
where: short stacking energy: -475.700
Base-Backbone interact. energy: -1.450
local terms energy: -514.828867
where:
bonds (distance) C4'-P energy: -99.685
bonds (distance) P-C4' energy: -106.890
flat angles C4'-P-C4' energy: -113.261
flat angles P-C4'-P energy: -56.072
tors. eta vs tors. theta energy: -138.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1604.457029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.457029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.457029 (E_RNA)
where:
Base-Base interactions energy: -1096.352
where: short stacking energy: -475.909
Base-Backbone interact. energy: -2.705
local terms energy: -505.399448
where:
bonds (distance) C4'-P energy: -91.461
bonds (distance) P-C4' energy: -102.806
flat angles C4'-P-C4' energy: -111.455
flat angles P-C4'-P energy: -72.120
tors. eta vs tors. theta energy: -127.558
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: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1478.578600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.578600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.578600 (E_RNA)
where:
Base-Base interactions energy: -992.176
where: short stacking energy: -449.334
Base-Backbone interact. energy: -1.495
local terms energy: -484.907784
where:
bonds (distance) C4'-P energy: -92.029
bonds (distance) P-C4' energy: -95.311
flat angles C4'-P-C4' energy: -108.878
flat angles P-C4'-P energy: -60.668
tors. eta vs tors. theta energy: -128.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1371.147896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.147896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.147896 (E_RNA)
where:
Base-Base interactions energy: -903.749
where: short stacking energy: -380.737
Base-Backbone interact. energy: -2.280
local terms energy: -465.118366
where:
bonds (distance) C4'-P energy: -93.050
bonds (distance) P-C4' energy: -86.164
flat angles C4'-P-C4' energy: -112.138
flat angles P-C4'-P energy: -75.322
tors. eta vs tors. theta energy: -98.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1230.543351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.543351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.543351 (E_RNA)
where:
Base-Base interactions energy: -790.850
where: short stacking energy: -348.374
Base-Backbone interact. energy: 1.819
local terms energy: -441.512215
where:
bonds (distance) C4'-P energy: -89.303
bonds (distance) P-C4' energy: -96.061
flat angles C4'-P-C4' energy: -95.041
flat angles P-C4'-P energy: -72.887
tors. eta vs tors. theta energy: -88.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1042.460159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.460159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.460159 (E_RNA)
where:
Base-Base interactions energy: -654.786
where: short stacking energy: -298.371
Base-Backbone interact. energy: -0.554
local terms energy: -387.119553
where:
bonds (distance) C4'-P energy: -89.284
bonds (distance) P-C4' energy: -85.615
flat angles C4'-P-C4' energy: -90.064
flat angles P-C4'-P energy: -59.491
tors. eta vs tors. theta energy: -62.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -950.171342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.171342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.171342 (E_RNA)
where:
Base-Base interactions energy: -595.964
where: short stacking energy: -267.557
Base-Backbone interact. energy: -1.607
local terms energy: -352.600745
where:
bonds (distance) C4'-P energy: -77.881
bonds (distance) P-C4' energy: -84.138
flat angles C4'-P-C4' energy: -86.072
flat angles P-C4'-P energy: -53.916
tors. eta vs tors. theta energy: -50.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -645.277294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.277294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.277294 (E_RNA)
where:
Base-Base interactions energy: -346.452
where: short stacking energy: -178.186
Base-Backbone interact. energy: -0.794
local terms energy: -298.031554
where:
bonds (distance) C4'-P energy: -79.249
bonds (distance) P-C4' energy: -76.935
flat angles C4'-P-C4' energy: -68.841
flat angles P-C4'-P energy: -57.119
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -584.408989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.408989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.408989 (E_RNA)
where:
Base-Base interactions energy: -292.719
where: short stacking energy: -170.310
Base-Backbone interact. energy: 6.498
local terms energy: -298.188752
where:
bonds (distance) C4'-P energy: -82.443
bonds (distance) P-C4' energy: -75.030
flat angles C4'-P-C4' energy: -80.000
flat angles P-C4'-P energy: -49.104
tors. eta vs tors. theta energy: -11.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1707.908433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.908433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.908433 (E_RNA)
where:
Base-Base interactions energy: -1143.612
where: short stacking energy: -515.756
Base-Backbone interact. energy: -2.521
local terms energy: -561.776330
where:
bonds (distance) C4'-P energy: -107.725
bonds (distance) P-C4' energy: -94.288
flat angles C4'-P-C4' energy: -117.523
flat angles P-C4'-P energy: -90.391
tors. eta vs tors. theta energy: -151.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1611.909150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.909150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.909150 (E_RNA)
where:
Base-Base interactions energy: -1110.444
where: short stacking energy: -477.964
Base-Backbone interact. energy: -0.347
local terms energy: -501.118752
where:
bonds (distance) C4'-P energy: -89.529
bonds (distance) P-C4' energy: -90.851
flat angles C4'-P-C4' energy: -106.885
flat angles P-C4'-P energy: -82.907
tors. eta vs tors. theta energy: -130.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1592.528054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.528054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.528054 (E_RNA)
where:
Base-Base interactions energy: -1075.188
where: short stacking energy: -480.275
Base-Backbone interact. energy: 0.843
local terms energy: -518.183861
where:
bonds (distance) C4'-P energy: -107.622
bonds (distance) P-C4' energy: -83.911
flat angles C4'-P-C4' energy: -112.721
flat angles P-C4'-P energy: -75.102
tors. eta vs tors. theta energy: -138.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1487.554750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.554750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.554750 (E_RNA)
where:
Base-Base interactions energy: -969.787
where: short stacking energy: -416.770
Base-Backbone interact. energy: -0.588
local terms energy: -517.180087
where:
bonds (distance) C4'-P energy: -103.103
bonds (distance) P-C4' energy: -98.567
flat angles C4'-P-C4' energy: -110.845
flat angles P-C4'-P energy: -64.559
tors. eta vs tors. theta energy: -140.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1376.861214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.861214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.861214 (E_RNA)
where:
Base-Base interactions energy: -948.802
where: short stacking energy: -391.878
Base-Backbone interact. energy: -2.073
local terms energy: -425.986995
where:
bonds (distance) C4'-P energy: -74.729
bonds (distance) P-C4' energy: -103.026
flat angles C4'-P-C4' energy: -93.591
flat angles P-C4'-P energy: -54.170
tors. eta vs tors. theta energy: -100.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1189.802059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.802059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.802059 (E_RNA)
where:
Base-Base interactions energy: -791.104
where: short stacking energy: -358.744
Base-Backbone interact. energy: -1.153
local terms energy: -397.544555
where:
bonds (distance) C4'-P energy: -81.942
bonds (distance) P-C4' energy: -83.411
flat angles C4'-P-C4' energy: -83.770
flat angles P-C4'-P energy: -63.927
tors. eta vs tors. theta energy: -84.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -997.872368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.872368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.872368 (E_RNA)
where:
Base-Base interactions energy: -633.002
where: short stacking energy: -320.333
Base-Backbone interact. energy: 3.844
local terms energy: -368.714016
where:
bonds (distance) C4'-P energy: -74.061
bonds (distance) P-C4' energy: -85.446
flat angles C4'-P-C4' energy: -74.438
flat angles P-C4'-P energy: -55.306
tors. eta vs tors. theta energy: -79.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -893.939746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.939746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.939746 (E_RNA)
where:
Base-Base interactions energy: -525.378
where: short stacking energy: -223.002
Base-Backbone interact. energy: 2.481
local terms energy: -371.042710
where:
bonds (distance) C4'-P energy: -68.524
bonds (distance) P-C4' energy: -95.090
flat angles C4'-P-C4' energy: -95.528
flat angles P-C4'-P energy: -73.259
tors. eta vs tors. theta energy: -38.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -662.376197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.376197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.376197 (E_RNA)
where:
Base-Base interactions energy: -302.754
where: short stacking energy: -177.609
Base-Backbone interact. energy: 0.654
local terms energy: -360.275734
where:
bonds (distance) C4'-P energy: -108.158
bonds (distance) P-C4' energy: -100.084
flat angles C4'-P-C4' energy: -85.669
flat angles P-C4'-P energy: -50.374
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -657.030508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.030508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.030508 (E_RNA)
where:
Base-Base interactions energy: -337.401
where: short stacking energy: -153.732
Base-Backbone interact. energy: -3.152
local terms energy: -316.477761
where:
bonds (distance) C4'-P energy: -73.596
bonds (distance) P-C4' energy: -99.399
flat angles C4'-P-C4' energy: -80.111
flat angles P-C4'-P energy: -39.320
tors. eta vs tors. theta energy: -24.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1721.734222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.734222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.734222 (E_RNA)
where:
Base-Base interactions energy: -1163.321
where: short stacking energy: -523.948
Base-Backbone interact. energy: -3.362
local terms energy: -555.051462
where:
bonds (distance) C4'-P energy: -103.971
bonds (distance) P-C4' energy: -102.390
flat angles C4'-P-C4' energy: -120.476
flat angles P-C4'-P energy: -77.829
tors. eta vs tors. theta energy: -150.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1609.435455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.435455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.435455 (E_RNA)
where:
Base-Base interactions energy: -1121.645
where: short stacking energy: -501.694
Base-Backbone interact. energy: -1.587
local terms energy: -486.203923
where:
bonds (distance) C4'-P energy: -87.197
bonds (distance) P-C4' energy: -95.785
flat angles C4'-P-C4' energy: -99.784
flat angles P-C4'-P energy: -71.946
tors. eta vs tors. theta energy: -131.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1570.507051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.507051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.507051 (E_RNA)
where:
Base-Base interactions energy: -1067.650
where: short stacking energy: -436.833
Base-Backbone interact. energy: 1.572
local terms energy: -504.428913
where:
bonds (distance) C4'-P energy: -108.783
bonds (distance) P-C4' energy: -100.391
flat angles C4'-P-C4' energy: -103.155
flat angles P-C4'-P energy: -65.658
tors. eta vs tors. theta energy: -126.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1548.876547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.876547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.876547 (E_RNA)
where:
Base-Base interactions energy: -1051.051
where: short stacking energy: -464.370
Base-Backbone interact. energy: -0.577
local terms energy: -497.248756
where:
bonds (distance) C4'-P energy: -99.806
bonds (distance) P-C4' energy: -91.355
flat angles C4'-P-C4' energy: -108.247
flat angles P-C4'-P energy: -68.282
tors. eta vs tors. theta energy: -129.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1368.868041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.868041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.868041 (E_RNA)
where:
Base-Base interactions energy: -910.731
where: short stacking energy: -364.566
Base-Backbone interact. energy: -2.070
local terms energy: -456.067156
where:
bonds (distance) C4'-P energy: -91.228
bonds (distance) P-C4' energy: -93.370
flat angles C4'-P-C4' energy: -114.075
flat angles P-C4'-P energy: -60.217
tors. eta vs tors. theta energy: -97.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1211.581244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.581244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.581244 (E_RNA)
where:
Base-Base interactions energy: -791.087
where: short stacking energy: -346.947
Base-Backbone interact. energy: -1.902
local terms energy: -418.593164
where:
bonds (distance) C4'-P energy: -96.150
bonds (distance) P-C4' energy: -89.221
flat angles C4'-P-C4' energy: -98.078
flat angles P-C4'-P energy: -63.863
tors. eta vs tors. theta energy: -71.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1006.602040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.602040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.602040 (E_RNA)
where:
Base-Base interactions energy: -614.481
where: short stacking energy: -294.046
Base-Backbone interact. energy: 2.499
local terms energy: -394.619517
where:
bonds (distance) C4'-P energy: -83.872
bonds (distance) P-C4' energy: -99.792
flat angles C4'-P-C4' energy: -89.821
flat angles P-C4'-P energy: -58.945
tors. eta vs tors. theta energy: -62.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -944.176000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.176000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.176000 (E_RNA)
where:
Base-Base interactions energy: -602.697
where: short stacking energy: -283.310
Base-Backbone interact. energy: 1.402
local terms energy: -342.880974
where:
bonds (distance) C4'-P energy: -84.150
bonds (distance) P-C4' energy: -72.108
flat angles C4'-P-C4' energy: -74.360
flat angles P-C4'-P energy: -55.616
tors. eta vs tors. theta energy: -56.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -629.640624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.640624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.640624 (E_RNA)
where:
Base-Base interactions energy: -308.118
where: short stacking energy: -179.641
Base-Backbone interact. energy: -1.885
local terms energy: -319.637323
where:
bonds (distance) C4'-P energy: -79.612
bonds (distance) P-C4' energy: -71.987
flat angles C4'-P-C4' energy: -86.784
flat angles P-C4'-P energy: -61.656
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -625.566831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.566831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.566831 (E_RNA)
where:
Base-Base interactions energy: -346.444
where: short stacking energy: -192.128
Base-Backbone interact. energy: 0.344
local terms energy: -279.466899
where:
bonds (distance) C4'-P energy: -70.153
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -68.366
flat angles P-C4'-P energy: -44.907
tors. eta vs tors. theta energy: -6.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1704.774747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.774747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.774747 (E_RNA)
where:
Base-Base interactions energy: -1172.717
where: short stacking energy: -507.879
Base-Backbone interact. energy: -1.050
local terms energy: -531.007288
where:
bonds (distance) C4'-P energy: -91.760
bonds (distance) P-C4' energy: -107.080
flat angles C4'-P-C4' energy: -112.957
flat angles P-C4'-P energy: -74.589
tors. eta vs tors. theta energy: -144.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1651.471943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.471943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.471943 (E_RNA)
where:
Base-Base interactions energy: -1123.037
where: short stacking energy: -484.391
Base-Backbone interact. energy: -0.906
local terms energy: -527.528333
where:
bonds (distance) C4'-P energy: -91.647
bonds (distance) P-C4' energy: -96.185
flat angles C4'-P-C4' energy: -115.310
flat angles P-C4'-P energy: -72.210
tors. eta vs tors. theta energy: -152.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1564.448926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.448926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.448926 (E_RNA)
where:
Base-Base interactions energy: -1065.428
where: short stacking energy: -464.069
Base-Backbone interact. energy: -0.898
local terms energy: -498.123158
where:
bonds (distance) C4'-P energy: -83.208
bonds (distance) P-C4' energy: -106.670
flat angles C4'-P-C4' energy: -109.358
flat angles P-C4'-P energy: -69.281
tors. eta vs tors. theta energy: -129.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1531.253160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.253160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.253160 (E_RNA)
where:
Base-Base interactions energy: -1049.199
where: short stacking energy: -454.269
Base-Backbone interact. energy: 0.834
local terms energy: -482.888715
where:
bonds (distance) C4'-P energy: -92.962
bonds (distance) P-C4' energy: -101.896
flat angles C4'-P-C4' energy: -85.861
flat angles P-C4'-P energy: -70.187
tors. eta vs tors. theta energy: -131.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1377.948050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.948050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.948050 (E_RNA)
where:
Base-Base interactions energy: -923.871
where: short stacking energy: -401.744
Base-Backbone interact. energy: -0.665
local terms energy: -453.411585
where:
bonds (distance) C4'-P energy: -99.277
bonds (distance) P-C4' energy: -92.655
flat angles C4'-P-C4' energy: -94.692
flat angles P-C4'-P energy: -60.112
tors. eta vs tors. theta energy: -106.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1286.300302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.300302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.300302 (E_RNA)
where:
Base-Base interactions energy: -855.394
where: short stacking energy: -359.240
Base-Backbone interact. energy: -1.543
local terms energy: -429.363768
where:
bonds (distance) C4'-P energy: -74.754
bonds (distance) P-C4' energy: -104.005
flat angles C4'-P-C4' energy: -96.341
flat angles P-C4'-P energy: -67.327
tors. eta vs tors. theta energy: -86.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -988.197616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.197616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.197616 (E_RNA)
where:
Base-Base interactions energy: -595.295
where: short stacking energy: -280.879
Base-Backbone interact. energy: -2.955
local terms energy: -389.947103
where:
bonds (distance) C4'-P energy: -80.936
bonds (distance) P-C4' energy: -110.852
flat angles C4'-P-C4' energy: -86.313
flat angles P-C4'-P energy: -55.728
tors. eta vs tors. theta energy: -56.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -939.256768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.256768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.256768 (E_RNA)
where:
Base-Base interactions energy: -583.465
where: short stacking energy: -270.841
Base-Backbone interact. energy: 0.759
local terms energy: -356.551117
where:
bonds (distance) C4'-P energy: -76.190
bonds (distance) P-C4' energy: -65.220
flat angles C4'-P-C4' energy: -90.268
flat angles P-C4'-P energy: -61.786
tors. eta vs tors. theta energy: -63.088
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: 9, replica: 4
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -690.625665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.625665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.625665 (E_RNA)
where:
Base-Base interactions energy: -398.000
where: short stacking energy: -186.462
Base-Backbone interact. energy: 0.258
local terms energy: -292.884415
where:
bonds (distance) C4'-P energy: -75.184
bonds (distance) P-C4' energy: -88.183
flat angles C4'-P-C4' energy: -80.366
flat angles P-C4'-P energy: -42.747
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -596.275309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.275309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.275309 (E_RNA)
where:
Base-Base interactions energy: -299.892
where: short stacking energy: -165.049
Base-Backbone interact. energy: -1.527
local terms energy: -294.856549
where:
bonds (distance) C4'-P energy: -76.583
bonds (distance) P-C4' energy: -90.787
flat angles C4'-P-C4' energy: -65.739
flat angles P-C4'-P energy: -45.372
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1715.311927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.311927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.311927 (E_RNA)
where:
Base-Base interactions energy: -1167.548
where: short stacking energy: -517.315
Base-Backbone interact. energy: -2.616
local terms energy: -545.147151
where:
bonds (distance) C4'-P energy: -99.894
bonds (distance) P-C4' energy: -101.262
flat angles C4'-P-C4' energy: -122.662
flat angles P-C4'-P energy: -76.709
tors. eta vs tors. theta energy: -144.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1668.633693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.633693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.633693 (E_RNA)
where:
Base-Base interactions energy: -1125.122
where: short stacking energy: -483.934
Base-Backbone interact. energy: -1.754
local terms energy: -541.757939
where:
bonds (distance) C4'-P energy: -85.849
bonds (distance) P-C4' energy: -107.112
flat angles C4'-P-C4' energy: -121.172
flat angles P-C4'-P energy: -75.398
tors. eta vs tors. theta energy: -152.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1540.479311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.479311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.479311 (E_RNA)
where:
Base-Base interactions energy: -1041.112
where: short stacking energy: -462.775
Base-Backbone interact. energy: 0.936
local terms energy: -500.302697
where:
bonds (distance) C4'-P energy: -94.422
bonds (distance) P-C4' energy: -98.312
flat angles C4'-P-C4' energy: -104.728
flat angles P-C4'-P energy: -76.059
tors. eta vs tors. theta energy: -126.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1492.454671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.454671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.454671 (E_RNA)
where:
Base-Base interactions energy: -1009.229
where: short stacking energy: -431.813
Base-Backbone interact. energy: -2.152
local terms energy: -481.074286
where:
bonds (distance) C4'-P energy: -94.431
bonds (distance) P-C4' energy: -99.650
flat angles C4'-P-C4' energy: -109.457
flat angles P-C4'-P energy: -55.937
tors. eta vs tors. theta energy: -121.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1352.462293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.462293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.462293 (E_RNA)
where:
Base-Base interactions energy: -885.447
where: short stacking energy: -386.238
Base-Backbone interact. energy: -0.169
local terms energy: -466.846042
where:
bonds (distance) C4'-P energy: -95.928
bonds (distance) P-C4' energy: -103.653
flat angles C4'-P-C4' energy: -105.670
flat angles P-C4'-P energy: -52.806
tors. eta vs tors. theta energy: -108.790
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: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1203.443387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.443387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.443387 (E_RNA)
where:
Base-Base interactions energy: -802.842
where: short stacking energy: -349.647
Base-Backbone interact. energy: 3.327
local terms energy: -403.928665
where:
bonds (distance) C4'-P energy: -81.499
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -94.255
flat angles P-C4'-P energy: -51.854
tors. eta vs tors. theta energy: -79.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -997.777813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.777813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.777813 (E_RNA)
where:
Base-Base interactions energy: -617.799
where: short stacking energy: -280.661
Base-Backbone interact. energy: -2.696
local terms energy: -377.282053
where:
bonds (distance) C4'-P energy: -79.346
bonds (distance) P-C4' energy: -105.913
flat angles C4'-P-C4' energy: -80.859
flat angles P-C4'-P energy: -52.862
tors. eta vs tors. theta energy: -58.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -961.500624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.500624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.500624 (E_RNA)
where:
Base-Base interactions energy: -596.478
where: short stacking energy: -276.404
Base-Backbone interact. energy: -1.324
local terms energy: -363.699050
where:
bonds (distance) C4'-P energy: -81.279
bonds (distance) P-C4' energy: -91.931
flat angles C4'-P-C4' energy: -87.833
flat angles P-C4'-P energy: -50.873
tors. eta vs tors. theta energy: -51.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -682.086439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.086439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.086439 (E_RNA)
where:
Base-Base interactions energy: -351.624
where: short stacking energy: -181.946
Base-Backbone interact. energy: -0.522
local terms energy: -329.940013
where:
bonds (distance) C4'-P energy: -75.914
bonds (distance) P-C4' energy: -104.630
flat angles C4'-P-C4' energy: -78.159
flat angles P-C4'-P energy: -48.589
tors. eta vs tors. theta energy: -22.649
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: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -585.957174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.957174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.957174 (E_RNA)
where:
Base-Base interactions energy: -307.455
where: short stacking energy: -175.328
Base-Backbone interact. energy: 1.011
local terms energy: -279.513016
where:
bonds (distance) C4'-P energy: -82.695
bonds (distance) P-C4' energy: -76.186
flat angles C4'-P-C4' energy: -77.315
flat angles P-C4'-P energy: -45.055
tors. eta vs tors. theta energy: 1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1723.463566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.463566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.463566 (E_RNA)
where:
Base-Base interactions energy: -1175.601
where: short stacking energy: -520.213
Base-Backbone interact. energy: -3.527
local terms energy: -544.335416
where:
bonds (distance) C4'-P energy: -102.086
bonds (distance) P-C4' energy: -105.873
flat angles C4'-P-C4' energy: -112.282
flat angles P-C4'-P energy: -77.413
tors. eta vs tors. theta energy: -146.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1682.123260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.123260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.123260 (E_RNA)
where:
Base-Base interactions energy: -1139.713
where: short stacking energy: -492.109
Base-Backbone interact. energy: -0.163
local terms energy: -542.247640
where:
bonds (distance) C4'-P energy: -107.654
bonds (distance) P-C4' energy: -101.236
flat angles C4'-P-C4' energy: -117.019
flat angles P-C4'-P energy: -65.737
tors. eta vs tors. theta energy: -150.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1561.304329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.304329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.304329 (E_RNA)
where:
Base-Base interactions energy: -1066.506
where: short stacking energy: -479.279
Base-Backbone interact. energy: -1.178
local terms energy: -493.620757
where:
bonds (distance) C4'-P energy: -90.582
bonds (distance) P-C4' energy: -103.175
flat angles C4'-P-C4' energy: -112.278
flat angles P-C4'-P energy: -62.173
tors. eta vs tors. theta energy: -125.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1510.343907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.343907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.343907 (E_RNA)
where:
Base-Base interactions energy: -1047.312
where: short stacking energy: -438.353
Base-Backbone interact. energy: 4.862
local terms energy: -467.894297
where:
bonds (distance) C4'-P energy: -89.654
bonds (distance) P-C4' energy: -82.912
flat angles C4'-P-C4' energy: -113.571
flat angles P-C4'-P energy: -70.156
tors. eta vs tors. theta energy: -111.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1353.591023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.591023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.591023 (E_RNA)
where:
Base-Base interactions energy: -914.141
where: short stacking energy: -378.031
Base-Backbone interact. energy: 0.312
local terms energy: -439.761333
where:
bonds (distance) C4'-P energy: -87.149
bonds (distance) P-C4' energy: -85.541
flat angles C4'-P-C4' energy: -90.345
flat angles P-C4'-P energy: -68.531
tors. eta vs tors. theta energy: -108.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1204.768077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.768077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.768077 (E_RNA)
where:
Base-Base interactions energy: -775.242
where: short stacking energy: -336.212
Base-Backbone interact. energy: -1.397
local terms energy: -428.129085
where:
bonds (distance) C4'-P energy: -98.791
bonds (distance) P-C4' energy: -101.138
flat angles C4'-P-C4' energy: -96.481
flat angles P-C4'-P energy: -55.489
tors. eta vs tors. theta energy: -76.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -988.468882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.468882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.468882 (E_RNA)
where:
Base-Base interactions energy: -625.155
where: short stacking energy: -284.404
Base-Backbone interact. energy: 2.423
local terms energy: -365.737040
where:
bonds (distance) C4'-P energy: -83.911
bonds (distance) P-C4' energy: -71.765
flat angles C4'-P-C4' energy: -101.767
flat angles P-C4'-P energy: -61.593
tors. eta vs tors. theta energy: -46.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -924.525626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.525626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.525626 (E_RNA)
where:
Base-Base interactions energy: -588.747
where: short stacking energy: -277.140
Base-Backbone interact. energy: 3.233
local terms energy: -339.011230
where:
bonds (distance) C4'-P energy: -69.688
bonds (distance) P-C4' energy: -66.455
flat angles C4'-P-C4' energy: -95.132
flat angles P-C4'-P energy: -53.062
tors. eta vs tors. theta energy: -54.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -698.312730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.312730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.312730 (E_RNA)
where:
Base-Base interactions energy: -394.521
where: short stacking energy: -188.917
Base-Backbone interact. energy: -1.807
local terms energy: -301.985310
where:
bonds (distance) C4'-P energy: -90.502
bonds (distance) P-C4' energy: -92.857
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -568.462743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.462743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.462743 (E_RNA)
where:
Base-Base interactions energy: -292.656
where: short stacking energy: -167.129
Base-Backbone interact. energy: 1.811
local terms energy: -277.618385
where:
bonds (distance) C4'-P energy: -84.204
bonds (distance) P-C4' energy: -80.327
flat angles C4'-P-C4' energy: -78.509
flat angles P-C4'-P energy: -34.839
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1743.200708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.200708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.200708 (E_RNA)
where:
Base-Base interactions energy: -1203.088
where: short stacking energy: -513.854
Base-Backbone interact. energy: -1.974
local terms energy: -538.138632
where:
bonds (distance) C4'-P energy: -88.913
bonds (distance) P-C4' energy: -108.631
flat angles C4'-P-C4' energy: -108.256
flat angles P-C4'-P energy: -80.597
tors. eta vs tors. theta energy: -151.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1689.900083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.900083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.900083 (E_RNA)
where:
Base-Base interactions energy: -1145.009
where: short stacking energy: -493.543
Base-Backbone interact. energy: -0.781
local terms energy: -544.110951
where:
bonds (distance) C4'-P energy: -110.765
bonds (distance) P-C4' energy: -102.438
flat angles C4'-P-C4' energy: -112.166
flat angles P-C4'-P energy: -70.761
tors. eta vs tors. theta energy: -147.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1607.036168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.036168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.036168 (E_RNA)
where:
Base-Base interactions energy: -1089.518
where: short stacking energy: -483.349
Base-Backbone interact. energy: -0.619
local terms energy: -516.898700
where:
bonds (distance) C4'-P energy: -102.789
bonds (distance) P-C4' energy: -103.647
flat angles C4'-P-C4' energy: -105.154
flat angles P-C4'-P energy: -63.269
tors. eta vs tors. theta energy: -142.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1502.012677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.012677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.012677 (E_RNA)
where:
Base-Base interactions energy: -1026.004
where: short stacking energy: -415.318
Base-Backbone interact. energy: -1.562
local terms energy: -474.447098
where:
bonds (distance) C4'-P energy: -84.771
bonds (distance) P-C4' energy: -97.142
flat angles C4'-P-C4' energy: -102.602
flat angles P-C4'-P energy: -68.677
tors. eta vs tors. theta energy: -121.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1339.526901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.526901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.526901 (E_RNA)
where:
Base-Base interactions energy: -872.775
where: short stacking energy: -346.978
Base-Backbone interact. energy: -1.401
local terms energy: -465.350750
where:
bonds (distance) C4'-P energy: -101.625
bonds (distance) P-C4' energy: -95.205
flat angles C4'-P-C4' energy: -93.079
flat angles P-C4'-P energy: -67.779
tors. eta vs tors. theta energy: -107.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1219.773696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.773696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.773696 (E_RNA)
where:
Base-Base interactions energy: -810.746
where: short stacking energy: -367.178
Base-Backbone interact. energy: 2.288
local terms energy: -411.315651
where:
bonds (distance) C4'-P energy: -86.082
bonds (distance) P-C4' energy: -92.343
flat angles C4'-P-C4' energy: -94.993
flat angles P-C4'-P energy: -58.735
tors. eta vs tors. theta energy: -79.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1011.627217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.627217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.627217 (E_RNA)
where:
Base-Base interactions energy: -639.708
where: short stacking energy: -263.358
Base-Backbone interact. energy: -2.260
local terms energy: -369.658828
where:
bonds (distance) C4'-P energy: -94.739
bonds (distance) P-C4' energy: -87.751
flat angles C4'-P-C4' energy: -87.283
flat angles P-C4'-P energy: -59.808
tors. eta vs tors. theta energy: -40.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -897.497070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.497070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.497070 (E_RNA)
where:
Base-Base interactions energy: -531.764
where: short stacking energy: -237.021
Base-Backbone interact. energy: 0.665
local terms energy: -366.398738
where:
bonds (distance) C4'-P energy: -85.809
bonds (distance) P-C4' energy: -100.372
flat angles C4'-P-C4' energy: -89.416
flat angles P-C4'-P energy: -54.292
tors. eta vs tors. theta energy: -36.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -693.729824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.729824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.729824 (E_RNA)
where:
Base-Base interactions energy: -414.077
where: short stacking energy: -196.725
Base-Backbone interact. energy: -1.991
local terms energy: -277.661768
where:
bonds (distance) C4'-P energy: -86.831
bonds (distance) P-C4' energy: -68.377
flat angles C4'-P-C4' energy: -76.241
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -11.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -563.097773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.097773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.097773 (E_RNA)
where:
Base-Base interactions energy: -267.790
where: short stacking energy: -156.238
Base-Backbone interact. energy: -0.647
local terms energy: -294.660404
where:
bonds (distance) C4'-P energy: -97.772
bonds (distance) P-C4' energy: -82.202
flat angles C4'-P-C4' energy: -58.677
flat angles P-C4'-P energy: -51.720
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: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1724.960757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.960757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.960757 (E_RNA)
where:
Base-Base interactions energy: -1185.309
where: short stacking energy: -517.209
Base-Backbone interact. energy: -1.569
local terms energy: -538.082633
where:
bonds (distance) C4'-P energy: -86.765
bonds (distance) P-C4' energy: -108.292
flat angles C4'-P-C4' energy: -109.496
flat angles P-C4'-P energy: -84.730
tors. eta vs tors. theta energy: -148.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1640.779957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.779957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.779957 (E_RNA)
where:
Base-Base interactions energy: -1126.503
where: short stacking energy: -481.525
Base-Backbone interact. energy: -0.572
local terms energy: -513.705620
where:
bonds (distance) C4'-P energy: -99.558
bonds (distance) P-C4' energy: -95.768
flat angles C4'-P-C4' energy: -116.438
flat angles P-C4'-P energy: -64.221
tors. eta vs tors. theta energy: -137.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1599.627437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.627437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.627437 (E_RNA)
where:
Base-Base interactions energy: -1094.602
where: short stacking energy: -489.561
Base-Backbone interact. energy: 1.836
local terms energy: -506.860865
where:
bonds (distance) C4'-P energy: -92.353
bonds (distance) P-C4' energy: -87.821
flat angles C4'-P-C4' energy: -109.907
flat angles P-C4'-P energy: -73.746
tors. eta vs tors. theta energy: -143.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1507.392945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.392945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.392945 (E_RNA)
where:
Base-Base interactions energy: -1011.922
where: short stacking energy: -436.701
Base-Backbone interact. energy: -1.074
local terms energy: -494.397615
where:
bonds (distance) C4'-P energy: -79.471
bonds (distance) P-C4' energy: -100.291
flat angles C4'-P-C4' energy: -102.501
flat angles P-C4'-P energy: -82.121
tors. eta vs tors. theta energy: -130.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1276.530299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.530299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.530299 (E_RNA)
where:
Base-Base interactions energy: -849.237
where: short stacking energy: -370.432
Base-Backbone interact. energy: -0.965
local terms energy: -426.327931
where:
bonds (distance) C4'-P energy: -89.144
bonds (distance) P-C4' energy: -94.164
flat angles C4'-P-C4' energy: -95.002
flat angles P-C4'-P energy: -64.227
tors. eta vs tors. theta energy: -83.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1323.817680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.817680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.817680 (E_RNA)
where:
Base-Base interactions energy: -848.186
where: short stacking energy: -380.354
Base-Backbone interact. energy: -0.207
local terms energy: -475.424870
where:
bonds (distance) C4'-P energy: -96.688
bonds (distance) P-C4' energy: -98.086
flat angles C4'-P-C4' energy: -97.636
flat angles P-C4'-P energy: -68.796
tors. eta vs tors. theta energy: -114.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1082.424955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.424955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.424955 (E_RNA)
where:
Base-Base interactions energy: -704.471
where: short stacking energy: -319.230
Base-Backbone interact. energy: -2.119
local terms energy: -375.834592
where:
bonds (distance) C4'-P energy: -84.571
bonds (distance) P-C4' energy: -95.995
flat angles C4'-P-C4' energy: -86.209
flat angles P-C4'-P energy: -48.897
tors. eta vs tors. theta energy: -60.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -866.288706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.288706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.288706 (E_RNA)
where:
Base-Base interactions energy: -502.911
where: short stacking energy: -238.092
Base-Backbone interact. energy: -3.145
local terms energy: -360.233158
where:
bonds (distance) C4'-P energy: -85.365
bonds (distance) P-C4' energy: -90.593
flat angles C4'-P-C4' energy: -84.630
flat angles P-C4'-P energy: -41.926
tors. eta vs tors. theta energy: -57.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -614.524217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.524217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.524217 (E_RNA)
where:
Base-Base interactions energy: -306.013
where: short stacking energy: -188.267
Base-Backbone interact. energy: 5.654
local terms energy: -314.165074
where:
bonds (distance) C4'-P energy: -93.707
bonds (distance) P-C4' energy: -84.835
flat angles C4'-P-C4' energy: -83.972
flat angles P-C4'-P energy: -46.037
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -658.730048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.730048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.730048 (E_RNA)
where:
Base-Base interactions energy: -348.403
where: short stacking energy: -157.461
Base-Backbone interact. energy: -1.590
local terms energy: -308.736903
where:
bonds (distance) C4'-P energy: -96.885
bonds (distance) P-C4' energy: -98.192
flat angles C4'-P-C4' energy: -61.160
flat angles P-C4'-P energy: -47.902
tors. eta vs tors. theta energy: -4.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1742.177785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.177785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.177785 (E_RNA)
where:
Base-Base interactions energy: -1193.007
where: short stacking energy: -505.519
Base-Backbone interact. energy: -2.564
local terms energy: -546.607216
where:
bonds (distance) C4'-P energy: -110.385
bonds (distance) P-C4' energy: -99.479
flat angles C4'-P-C4' energy: -109.723
flat angles P-C4'-P energy: -78.858
tors. eta vs tors. theta energy: -148.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1642.846574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.846574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.846574 (E_RNA)
where:
Base-Base interactions energy: -1109.173
where: short stacking energy: -495.951
Base-Backbone interact. energy: 1.161
local terms energy: -534.835143
where:
bonds (distance) C4'-P energy: -97.724
bonds (distance) P-C4' energy: -101.484
flat angles C4'-P-C4' energy: -117.156
flat angles P-C4'-P energy: -65.719
tors. eta vs tors. theta energy: -152.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1618.805783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.805783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.805783 (E_RNA)
where:
Base-Base interactions energy: -1098.271
where: short stacking energy: -461.421
Base-Backbone interact. energy: -3.342
local terms energy: -517.193076
where:
bonds (distance) C4'-P energy: -94.634
bonds (distance) P-C4' energy: -98.056
flat angles C4'-P-C4' energy: -108.045
flat angles P-C4'-P energy: -74.542
tors. eta vs tors. theta energy: -141.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1517.173750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.173750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.173750 (E_RNA)
where:
Base-Base interactions energy: -1018.320
where: short stacking energy: -423.214
Base-Backbone interact. energy: -0.060
local terms energy: -498.793723
where:
bonds (distance) C4'-P energy: -97.677
bonds (distance) P-C4' energy: -98.587
flat angles C4'-P-C4' energy: -105.978
flat angles P-C4'-P energy: -55.804
tors. eta vs tors. theta energy: -140.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1316.854812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.854812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.854812 (E_RNA)
where:
Base-Base interactions energy: -887.463
where: short stacking energy: -382.874
Base-Backbone interact. energy: -0.974
local terms energy: -428.417468
where:
bonds (distance) C4'-P energy: -87.045
bonds (distance) P-C4' energy: -93.446
flat angles C4'-P-C4' energy: -87.682
flat angles P-C4'-P energy: -65.236
tors. eta vs tors. theta energy: -95.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1297.788727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.788727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.788727 (E_RNA)
where:
Base-Base interactions energy: -841.508
where: short stacking energy: -363.374
Base-Backbone interact. energy: -1.956
local terms energy: -454.325065
where:
bonds (distance) C4'-P energy: -89.406
bonds (distance) P-C4' energy: -95.633
flat angles C4'-P-C4' energy: -104.206
flat angles P-C4'-P energy: -55.308
tors. eta vs tors. theta energy: -109.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1015.785197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.785197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.785197 (E_RNA)
where:
Base-Base interactions energy: -642.483
where: short stacking energy: -301.898
Base-Backbone interact. energy: -3.340
local terms energy: -369.962499
where:
bonds (distance) C4'-P energy: -85.573
bonds (distance) P-C4' energy: -80.077
flat angles C4'-P-C4' energy: -90.899
flat angles P-C4'-P energy: -58.957
tors. eta vs tors. theta energy: -54.456
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: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -936.071530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.071530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.071530 (E_RNA)
where:
Base-Base interactions energy: -580.777
where: short stacking energy: -284.613
Base-Backbone interact. energy: -1.934
local terms energy: -353.360451
where:
bonds (distance) C4'-P energy: -76.592
bonds (distance) P-C4' energy: -81.595
flat angles C4'-P-C4' energy: -87.263
flat angles P-C4'-P energy: -45.594
tors. eta vs tors. theta energy: -62.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -622.147808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.147808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.147808 (E_RNA)
where:
Base-Base interactions energy: -322.989
where: short stacking energy: -198.596
Base-Backbone interact. energy: -1.654
local terms energy: -297.505038
where:
bonds (distance) C4'-P energy: -91.530
bonds (distance) P-C4' energy: -79.202
flat angles C4'-P-C4' energy: -72.757
flat angles P-C4'-P energy: -48.946
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -647.805777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.805777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.805777 (E_RNA)
where:
Base-Base interactions energy: -340.946
where: short stacking energy: -171.704
Base-Backbone interact. energy: -1.262
local terms energy: -305.598305
where:
bonds (distance) C4'-P energy: -89.711
bonds (distance) P-C4' energy: -77.995
flat angles C4'-P-C4' energy: -80.975
flat angles P-C4'-P energy: -52.000
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1752.682526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.682526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.682526 (E_RNA)
where:
Base-Base interactions energy: -1207.292
where: short stacking energy: -519.354
Base-Backbone interact. energy: -1.961
local terms energy: -543.429916
where:
bonds (distance) C4'-P energy: -94.747
bonds (distance) P-C4' energy: -109.077
flat angles C4'-P-C4' energy: -121.067
flat angles P-C4'-P energy: -74.782
tors. eta vs tors. theta energy: -143.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1618.785382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.785382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.785382 (E_RNA)
where:
Base-Base interactions energy: -1094.296
where: short stacking energy: -486.279
Base-Backbone interact. energy: -0.762
local terms energy: -523.728034
where:
bonds (distance) C4'-P energy: -95.124
bonds (distance) P-C4' energy: -94.932
flat angles C4'-P-C4' energy: -110.793
flat angles P-C4'-P energy: -72.158
tors. eta vs tors. theta energy: -150.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1620.281487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.281487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.281487 (E_RNA)
where:
Base-Base interactions energy: -1114.375
where: short stacking energy: -475.597
Base-Backbone interact. energy: -1.305
local terms energy: -504.601061
where:
bonds (distance) C4'-P energy: -96.427
bonds (distance) P-C4' energy: -92.798
flat angles C4'-P-C4' energy: -114.501
flat angles P-C4'-P energy: -72.769
tors. eta vs tors. theta energy: -128.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1498.373172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.373172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.373172 (E_RNA)
where:
Base-Base interactions energy: -1003.221
where: short stacking energy: -430.824
Base-Backbone interact. energy: -1.146
local terms energy: -494.006632
where:
bonds (distance) C4'-P energy: -99.263
bonds (distance) P-C4' energy: -93.264
flat angles C4'-P-C4' energy: -107.259
flat angles P-C4'-P energy: -62.767
tors. eta vs tors. theta energy: -131.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1288.343772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.343772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.343772 (E_RNA)
where:
Base-Base interactions energy: -837.764
where: short stacking energy: -386.299
Base-Backbone interact. energy: -0.881
local terms energy: -449.699044
where:
bonds (distance) C4'-P energy: -101.902
bonds (distance) P-C4' energy: -81.035
flat angles C4'-P-C4' energy: -102.278
flat angles P-C4'-P energy: -74.630
tors. eta vs tors. theta energy: -89.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1292.429088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.429088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.429088 (E_RNA)
where:
Base-Base interactions energy: -847.999
where: short stacking energy: -365.245
Base-Backbone interact. energy: 1.399
local terms energy: -445.828344
where:
bonds (distance) C4'-P energy: -96.802
bonds (distance) P-C4' energy: -96.071
flat angles C4'-P-C4' energy: -80.560
flat angles P-C4'-P energy: -61.743
tors. eta vs tors. theta energy: -110.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -969.465407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.465407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.465407 (E_RNA)
where:
Base-Base interactions energy: -604.740
where: short stacking energy: -275.738
Base-Backbone interact. energy: 2.317
local terms energy: -367.042227
where:
bonds (distance) C4'-P energy: -93.357
bonds (distance) P-C4' energy: -85.394
flat angles C4'-P-C4' energy: -85.534
flat angles P-C4'-P energy: -62.681
tors. eta vs tors. theta energy: -40.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -941.240190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.240190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.240190 (E_RNA)
where:
Base-Base interactions energy: -586.825
where: short stacking energy: -289.805
Base-Backbone interact. energy: 1.156
local terms energy: -355.571848
where:
bonds (distance) C4'-P energy: -77.204
bonds (distance) P-C4' energy: -81.210
flat angles C4'-P-C4' energy: -89.364
flat angles P-C4'-P energy: -53.017
tors. eta vs tors. theta energy: -54.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -670.356071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.356071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.356071 (E_RNA)
where:
Base-Base interactions energy: -367.842
where: short stacking energy: -205.407
Base-Backbone interact. energy: 6.228
local terms energy: -308.742774
where:
bonds (distance) C4'-P energy: -76.296
bonds (distance) P-C4' energy: -101.816
flat angles C4'-P-C4' energy: -68.582
flat angles P-C4'-P energy: -47.507
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -603.100544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.100544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.100544 (E_RNA)
where:
Base-Base interactions energy: -324.655
where: short stacking energy: -182.106
Base-Backbone interact. energy: 1.842
local terms energy: -280.287219
where:
bonds (distance) C4'-P energy: -59.160
bonds (distance) P-C4' energy: -81.165
flat angles C4'-P-C4' energy: -90.811
flat angles P-C4'-P energy: -38.778
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1742.435141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.435141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.435141 (E_RNA)
where:
Base-Base interactions energy: -1187.917
where: short stacking energy: -500.101
Base-Backbone interact. energy: -1.215
local terms energy: -553.303236
where:
bonds (distance) C4'-P energy: -98.880
bonds (distance) P-C4' energy: -108.029
flat angles C4'-P-C4' energy: -120.974
flat angles P-C4'-P energy: -81.805
tors. eta vs tors. theta energy: -143.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1622.300500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.300500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.300500 (E_RNA)
where:
Base-Base interactions energy: -1098.146
where: short stacking energy: -503.106
Base-Backbone interact. energy: -2.619
local terms energy: -521.535288
where:
bonds (distance) C4'-P energy: -99.103
bonds (distance) P-C4' energy: -94.181
flat angles C4'-P-C4' energy: -111.064
flat angles P-C4'-P energy: -69.920
tors. eta vs tors. theta energy: -147.267
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: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1619.532172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.532172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.532172 (E_RNA)
where:
Base-Base interactions energy: -1109.532
where: short stacking energy: -467.582
Base-Backbone interact. energy: -1.361
local terms energy: -508.639681
where:
bonds (distance) C4'-P energy: -105.092
bonds (distance) P-C4' energy: -100.106
flat angles C4'-P-C4' energy: -106.166
flat angles P-C4'-P energy: -66.368
tors. eta vs tors. theta energy: -130.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1580.687084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.687084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.687084 (E_RNA)
where:
Base-Base interactions energy: -1076.505
where: short stacking energy: -458.786
Base-Backbone interact. energy: -0.013
local terms energy: -504.168144
where:
bonds (distance) C4'-P energy: -108.011
bonds (distance) P-C4' energy: -88.652
flat angles C4'-P-C4' energy: -112.971
flat angles P-C4'-P energy: -62.287
tors. eta vs tors. theta energy: -132.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1287.492038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.492038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.492038 (E_RNA)
where:
Base-Base interactions energy: -867.028
where: short stacking energy: -384.188
Base-Backbone interact. energy: -0.747
local terms energy: -419.717031
where:
bonds (distance) C4'-P energy: -89.191
bonds (distance) P-C4' energy: -91.432
flat angles C4'-P-C4' energy: -89.540
flat angles P-C4'-P energy: -67.167
tors. eta vs tors. theta energy: -82.387
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: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1261.989744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.989744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.989744 (E_RNA)
where:
Base-Base interactions energy: -820.929
where: short stacking energy: -360.227
Base-Backbone interact. energy: 0.984
local terms energy: -442.045306
where:
bonds (distance) C4'-P energy: -83.671
bonds (distance) P-C4' energy: -90.310
flat angles C4'-P-C4' energy: -102.893
flat angles P-C4'-P energy: -64.054
tors. eta vs tors. theta energy: -101.117
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: 7, replica: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1030.028280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.028280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.028280 (E_RNA)
where:
Base-Base interactions energy: -619.118
where: short stacking energy: -298.616
Base-Backbone interact. energy: -2.066
local terms energy: -408.843940
where:
bonds (distance) C4'-P energy: -70.984
bonds (distance) P-C4' energy: -96.167
flat angles C4'-P-C4' energy: -97.140
flat angles P-C4'-P energy: -67.787
tors. eta vs tors. theta energy: -76.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -873.664063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.664063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.664063 (E_RNA)
where:
Base-Base interactions energy: -538.103
where: short stacking energy: -245.625
Base-Backbone interact. energy: -3.756
local terms energy: -331.804743
where:
bonds (distance) C4'-P energy: -68.566
bonds (distance) P-C4' energy: -96.556
flat angles C4'-P-C4' energy: -84.425
flat angles P-C4'-P energy: -49.148
tors. eta vs tors. theta energy: -33.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -685.268158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.268158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.268158 (E_RNA)
where:
Base-Base interactions energy: -380.687
where: short stacking energy: -199.817
Base-Backbone interact. energy: 1.744
local terms energy: -306.325495
where:
bonds (distance) C4'-P energy: -91.340
bonds (distance) P-C4' energy: -66.140
flat angles C4'-P-C4' energy: -76.295
flat angles P-C4'-P energy: -56.951
tors. eta vs tors. theta energy: -15.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -593.198334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.198334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.198334 (E_RNA)
where:
Base-Base interactions energy: -308.356
where: short stacking energy: -156.802
Base-Backbone interact. energy: -0.786
local terms energy: -284.056107
where:
bonds (distance) C4'-P energy: -87.726
bonds (distance) P-C4' energy: -78.987
flat angles C4'-P-C4' energy: -56.919
flat angles P-C4'-P energy: -50.166
tors. eta vs tors. theta energy: -10.258
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: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1712.957544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.957544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.957544 (E_RNA)
where:
Base-Base interactions energy: -1174.377
where: short stacking energy: -499.450
Base-Backbone interact. energy: -2.114
local terms energy: -536.466866
where:
bonds (distance) C4'-P energy: -105.396
bonds (distance) P-C4' energy: -109.484
flat angles C4'-P-C4' energy: -117.960
flat angles P-C4'-P energy: -67.877
tors. eta vs tors. theta energy: -135.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1643.593226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.593226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.593226 (E_RNA)
where:
Base-Base interactions energy: -1110.475
where: short stacking energy: -490.479
Base-Backbone interact. energy: -3.991
local terms energy: -529.127035
where:
bonds (distance) C4'-P energy: -84.616
bonds (distance) P-C4' energy: -103.980
flat angles C4'-P-C4' energy: -109.804
flat angles P-C4'-P energy: -82.304
tors. eta vs tors. theta energy: -148.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1587.626107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.626107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.626107 (E_RNA)
where:
Base-Base interactions energy: -1080.167
where: short stacking energy: -463.363
Base-Backbone interact. energy: 0.731
local terms energy: -508.190281
where:
bonds (distance) C4'-P energy: -94.823
bonds (distance) P-C4' energy: -97.506
flat angles C4'-P-C4' energy: -114.139
flat angles P-C4'-P energy: -66.865
tors. eta vs tors. theta energy: -134.857
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: 262
Temperature: 1.050000
Total energy: -1551.673656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.673656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.673656 (E_RNA)
where:
Base-Base interactions energy: -1071.748
where: short stacking energy: -459.178
Base-Backbone interact. energy: 0.861
local terms energy: -480.786929
where:
bonds (distance) C4'-P energy: -79.248
bonds (distance) P-C4' energy: -94.176
flat angles C4'-P-C4' energy: -113.370
flat angles P-C4'-P energy: -53.193
tors. eta vs tors. theta energy: -140.800
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: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1246.104481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.104481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.104481 (E_RNA)
where:
Base-Base interactions energy: -829.048
where: short stacking energy: -363.831
Base-Backbone interact. energy: 1.625
local terms energy: -418.680963
where:
bonds (distance) C4'-P energy: -82.307
bonds (distance) P-C4' energy: -91.435
flat angles C4'-P-C4' energy: -110.429
flat angles P-C4'-P energy: -58.223
tors. eta vs tors. theta energy: -76.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1225.732279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.732279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.732279 (E_RNA)
where:
Base-Base interactions energy: -770.447
where: short stacking energy: -349.544
Base-Backbone interact. energy: -0.339
local terms energy: -454.946856
where:
bonds (distance) C4'-P energy: -87.041
bonds (distance) P-C4' energy: -88.407
flat angles C4'-P-C4' energy: -113.401
flat angles P-C4'-P energy: -62.437
tors. eta vs tors. theta energy: -103.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1034.735172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.735172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.735172 (E_RNA)
where:
Base-Base interactions energy: -634.821
where: short stacking energy: -280.992
Base-Backbone interact. energy: -2.336
local terms energy: -397.578222
where:
bonds (distance) C4'-P energy: -92.434
bonds (distance) P-C4' energy: -92.170
flat angles C4'-P-C4' energy: -105.285
flat angles P-C4'-P energy: -47.762
tors. eta vs tors. theta energy: -59.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -849.012770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.012770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.012770 (E_RNA)
where:
Base-Base interactions energy: -506.500
where: short stacking energy: -260.461
Base-Backbone interact. energy: 1.857
local terms energy: -344.369052
where:
bonds (distance) C4'-P energy: -86.699
bonds (distance) P-C4' energy: -85.867
flat angles C4'-P-C4' energy: -74.974
flat angles P-C4'-P energy: -52.592
tors. eta vs tors. theta energy: -44.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -719.614582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.614582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.614582 (E_RNA)
where:
Base-Base interactions energy: -402.105
where: short stacking energy: -197.740
Base-Backbone interact. energy: 2.686
local terms energy: -320.194696
where:
bonds (distance) C4'-P energy: -68.414
bonds (distance) P-C4' energy: -104.169
flat angles C4'-P-C4' energy: -77.753
flat angles P-C4'-P energy: -45.640
tors. eta vs tors. theta energy: -24.219
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: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -623.210876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.210876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.210876 (E_RNA)
where:
Base-Base interactions energy: -332.521
where: short stacking energy: -183.508
Base-Backbone interact. energy: 3.296
local terms energy: -293.985860
where:
bonds (distance) C4'-P energy: -87.622
bonds (distance) P-C4' energy: -80.934
flat angles C4'-P-C4' energy: -78.615
flat angles P-C4'-P energy: -39.162
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1746.585403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.585403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.585403 (E_RNA)
where:
Base-Base interactions energy: -1208.268
where: short stacking energy: -518.494
Base-Backbone interact. energy: -4.864
local terms energy: -533.452467
where:
bonds (distance) C4'-P energy: -83.046
bonds (distance) P-C4' energy: -101.058
flat angles C4'-P-C4' energy: -121.817
flat angles P-C4'-P energy: -78.410
tors. eta vs tors. theta energy: -149.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1641.282536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.282536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.282536 (E_RNA)
where:
Base-Base interactions energy: -1120.809
where: short stacking energy: -480.719
Base-Backbone interact. energy: -0.118
local terms energy: -520.355583
where:
bonds (distance) C4'-P energy: -92.523
bonds (distance) P-C4' energy: -107.084
flat angles C4'-P-C4' energy: -122.083
flat angles P-C4'-P energy: -61.146
tors. eta vs tors. theta energy: -137.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1608.705197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.705197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.705197 (E_RNA)
where:
Base-Base interactions energy: -1119.088
where: short stacking energy: -472.529
Base-Backbone interact. energy: 7.027
local terms energy: -496.643592
where:
bonds (distance) C4'-P energy: -108.220
bonds (distance) P-C4' energy: -92.606
flat angles C4'-P-C4' energy: -94.684
flat angles P-C4'-P energy: -70.680
tors. eta vs tors. theta energy: -130.454
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: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1532.996167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.996167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.996167 (E_RNA)
where:
Base-Base interactions energy: -1071.404
where: short stacking energy: -480.392
Base-Backbone interact. energy: -2.508
local terms energy: -459.085028
where:
bonds (distance) C4'-P energy: -92.955
bonds (distance) P-C4' energy: -75.723
flat angles C4'-P-C4' energy: -94.839
flat angles P-C4'-P energy: -69.206
tors. eta vs tors. theta energy: -126.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1269.008546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.008546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.008546 (E_RNA)
where:
Base-Base interactions energy: -818.912
where: short stacking energy: -371.340
Base-Backbone interact. energy: -1.950
local terms energy: -448.146961
where:
bonds (distance) C4'-P energy: -77.840
bonds (distance) P-C4' energy: -103.396
flat angles C4'-P-C4' energy: -110.974
flat angles P-C4'-P energy: -77.041
tors. eta vs tors. theta energy: -78.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1203.728078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.728078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.728078 (E_RNA)
where:
Base-Base interactions energy: -794.633
where: short stacking energy: -337.041
Base-Backbone interact. energy: 0.435
local terms energy: -409.530028
where:
bonds (distance) C4'-P energy: -86.759
bonds (distance) P-C4' energy: -86.818
flat angles C4'-P-C4' energy: -90.235
flat angles P-C4'-P energy: -57.733
tors. eta vs tors. theta energy: -87.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1026.290131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.290131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.290131 (E_RNA)
where:
Base-Base interactions energy: -649.000
where: short stacking energy: -312.837
Base-Backbone interact. energy: -1.063
local terms energy: -376.227815
where:
bonds (distance) C4'-P energy: -90.127
bonds (distance) P-C4' energy: -91.570
flat angles C4'-P-C4' energy: -78.403
flat angles P-C4'-P energy: -65.122
tors. eta vs tors. theta energy: -51.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -802.621973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.621973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.621973 (E_RNA)
where:
Base-Base interactions energy: -470.074
where: short stacking energy: -217.599
Base-Backbone interact. energy: -1.274
local terms energy: -331.273956
where:
bonds (distance) C4'-P energy: -81.330
bonds (distance) P-C4' energy: -75.674
flat angles C4'-P-C4' energy: -83.573
flat angles P-C4'-P energy: -66.510
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -700.869540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.869540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.869540 (E_RNA)
where:
Base-Base interactions energy: -363.863
where: short stacking energy: -173.604
Base-Backbone interact. energy: 0.461
local terms energy: -337.466946
where:
bonds (distance) C4'-P energy: -78.534
bonds (distance) P-C4' energy: -102.504
flat angles C4'-P-C4' energy: -82.341
flat angles P-C4'-P energy: -54.260
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -586.345699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.345699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.345699 (E_RNA)
where:
Base-Base interactions energy: -297.189
where: short stacking energy: -176.113
Base-Backbone interact. energy: 0.207
local terms energy: -289.362888
where:
bonds (distance) C4'-P energy: -69.035
bonds (distance) P-C4' energy: -83.343
flat angles C4'-P-C4' energy: -68.559
flat angles P-C4'-P energy: -47.547
tors. eta vs tors. theta energy: -20.878
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: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1674.705326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.705326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.705326 (E_RNA)
where:
Base-Base interactions energy: -1125.354
where: short stacking energy: -475.526
Base-Backbone interact. energy: -1.909
local terms energy: -547.441867
where:
bonds (distance) C4'-P energy: -98.158
bonds (distance) P-C4' energy: -104.590
flat angles C4'-P-C4' energy: -120.842
flat angles P-C4'-P energy: -80.721
tors. eta vs tors. theta energy: -143.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1681.405529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.405529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.405529 (E_RNA)
where:
Base-Base interactions energy: -1169.023
where: short stacking energy: -462.438
Base-Backbone interact. energy: 1.872
local terms energy: -514.254925
where:
bonds (distance) C4'-P energy: -103.370
bonds (distance) P-C4' energy: -98.519
flat angles C4'-P-C4' energy: -114.870
flat angles P-C4'-P energy: -74.744
tors. eta vs tors. theta energy: -122.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1578.170808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.170808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.170808 (E_RNA)
where:
Base-Base interactions energy: -1063.760
where: short stacking energy: -462.347
Base-Backbone interact. energy: 0.347
local terms energy: -514.757855
where:
bonds (distance) C4'-P energy: -94.936
bonds (distance) P-C4' energy: -107.757
flat angles C4'-P-C4' energy: -101.143
flat angles P-C4'-P energy: -68.285
tors. eta vs tors. theta energy: -142.636
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: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1485.981487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.981487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.981487 (E_RNA)
where:
Base-Base interactions energy: -1004.078
where: short stacking energy: -415.515
Base-Backbone interact. energy: 0.921
local terms energy: -482.823992
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -96.488
flat angles C4'-P-C4' energy: -114.429
flat angles P-C4'-P energy: -64.256
tors. eta vs tors. theta energy: -122.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1298.901007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.901007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.901007 (E_RNA)
where:
Base-Base interactions energy: -846.187
where: short stacking energy: -362.969
Base-Backbone interact. energy: -2.614
local terms energy: -450.099483
where:
bonds (distance) C4'-P energy: -85.078
bonds (distance) P-C4' energy: -103.325
flat angles C4'-P-C4' energy: -90.274
flat angles P-C4'-P energy: -76.753
tors. eta vs tors. theta energy: -94.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1277.173465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.173465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.173465 (E_RNA)
where:
Base-Base interactions energy: -849.969
where: short stacking energy: -364.998
Base-Backbone interact. energy: 2.859
local terms energy: -430.063847
where:
bonds (distance) C4'-P energy: -94.908
bonds (distance) P-C4' energy: -88.946
flat angles C4'-P-C4' energy: -90.780
flat angles P-C4'-P energy: -66.863
tors. eta vs tors. theta energy: -88.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1071.065839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.065839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.065839 (E_RNA)
where:
Base-Base interactions energy: -691.286
where: short stacking energy: -297.118
Base-Backbone interact. energy: -2.190
local terms energy: -377.589203
where:
bonds (distance) C4'-P energy: -71.655
bonds (distance) P-C4' energy: -94.288
flat angles C4'-P-C4' energy: -94.882
flat angles P-C4'-P energy: -45.773
tors. eta vs tors. theta energy: -70.992
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: 8, replica: 9
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -823.980858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.980858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.980858 (E_RNA)
where:
Base-Base interactions energy: -502.225
where: short stacking energy: -246.590
Base-Backbone interact. energy: -1.357
local terms energy: -320.399094
where:
bonds (distance) C4'-P energy: -79.899
bonds (distance) P-C4' energy: -87.314
flat angles C4'-P-C4' energy: -84.687
flat angles P-C4'-P energy: -44.728
tors. eta vs tors. theta energy: -23.771
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: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -699.889935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.889935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.889935 (E_RNA)
where:
Base-Base interactions energy: -383.054
where: short stacking energy: -185.349
Base-Backbone interact. energy: -2.829
local terms energy: -314.007481
where:
bonds (distance) C4'-P energy: -92.358
bonds (distance) P-C4' energy: -93.360
flat angles C4'-P-C4' energy: -74.779
flat angles P-C4'-P energy: -36.788
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -585.226646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.226646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.226646 (E_RNA)
where:
Base-Base interactions energy: -299.308
where: short stacking energy: -185.724
Base-Backbone interact. energy: -1.359
local terms energy: -284.559229
where:
bonds (distance) C4'-P energy: -71.149
bonds (distance) P-C4' energy: -90.384
flat angles C4'-P-C4' energy: -62.487
flat angles P-C4'-P energy: -42.154
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1667.422667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.422667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.422667 (E_RNA)
where:
Base-Base interactions energy: -1123.775
where: short stacking energy: -507.413
Base-Backbone interact. energy: -0.479
local terms energy: -543.168117
where:
bonds (distance) C4'-P energy: -95.819
bonds (distance) P-C4' energy: -108.421
flat angles C4'-P-C4' energy: -111.183
flat angles P-C4'-P energy: -79.757
tors. eta vs tors. theta energy: -147.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1701.954552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.954552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.954552 (E_RNA)
where:
Base-Base interactions energy: -1157.852
where: short stacking energy: -473.414
Base-Backbone interact. energy: -4.588
local terms energy: -539.513689
where:
bonds (distance) C4'-P energy: -113.457
bonds (distance) P-C4' energy: -105.508
flat angles C4'-P-C4' energy: -115.904
flat angles P-C4'-P energy: -65.450
tors. eta vs tors. theta energy: -139.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1558.759985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.759985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.759985 (E_RNA)
where:
Base-Base interactions energy: -1048.838
where: short stacking energy: -458.956
Base-Backbone interact. energy: -2.674
local terms energy: -507.247932
where:
bonds (distance) C4'-P energy: -104.563
bonds (distance) P-C4' energy: -98.398
flat angles C4'-P-C4' energy: -111.228
flat angles P-C4'-P energy: -68.730
tors. eta vs tors. theta energy: -124.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1519.578723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.578723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.578723 (E_RNA)
where:
Base-Base interactions energy: -1027.418
where: short stacking energy: -449.963
Base-Backbone interact. energy: 8.202
local terms energy: -500.362959
where:
bonds (distance) C4'-P energy: -99.509
bonds (distance) P-C4' energy: -103.574
flat angles C4'-P-C4' energy: -111.513
flat angles P-C4'-P energy: -63.708
tors. eta vs tors. theta energy: -122.059
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: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1317.081163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.081163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.081163 (E_RNA)
where:
Base-Base interactions energy: -882.719
where: short stacking energy: -392.669
Base-Backbone interact. energy: -1.687
local terms energy: -432.674605
where:
bonds (distance) C4'-P energy: -82.597
bonds (distance) P-C4' energy: -89.530
flat angles C4'-P-C4' energy: -90.671
flat angles P-C4'-P energy: -63.322
tors. eta vs tors. theta energy: -106.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1310.981759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.981759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.981759 (E_RNA)
where:
Base-Base interactions energy: -884.008
where: short stacking energy: -397.530
Base-Backbone interact. energy: -3.179
local terms energy: -423.794387
where:
bonds (distance) C4'-P energy: -73.000
bonds (distance) P-C4' energy: -90.302
flat angles C4'-P-C4' energy: -91.371
flat angles P-C4'-P energy: -71.174
tors. eta vs tors. theta energy: -97.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1061.018095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.018095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.018095 (E_RNA)
where:
Base-Base interactions energy: -682.425
where: short stacking energy: -302.825
Base-Backbone interact. energy: -2.516
local terms energy: -376.076790
where:
bonds (distance) C4'-P energy: -86.765
bonds (distance) P-C4' energy: -83.082
flat angles C4'-P-C4' energy: -86.290
flat angles P-C4'-P energy: -55.369
tors. eta vs tors. theta energy: -64.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -860.016010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.016010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.016010 (E_RNA)
where:
Base-Base interactions energy: -521.055
where: short stacking energy: -242.475
Base-Backbone interact. energy: -1.228
local terms energy: -337.733392
where:
bonds (distance) C4'-P energy: -79.991
bonds (distance) P-C4' energy: -92.887
flat angles C4'-P-C4' energy: -79.185
flat angles P-C4'-P energy: -37.204
tors. eta vs tors. theta energy: -48.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -666.854474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.854474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.854474 (E_RNA)
where:
Base-Base interactions energy: -370.970
where: short stacking energy: -180.877
Base-Backbone interact. energy: -2.154
local terms energy: -293.730524
where:
bonds (distance) C4'-P energy: -69.034
bonds (distance) P-C4' energy: -86.959
flat angles C4'-P-C4' energy: -76.920
flat angles P-C4'-P energy: -51.460
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -582.496725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.496725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.496725 (E_RNA)
where:
Base-Base interactions energy: -290.559
where: short stacking energy: -153.903
Base-Backbone interact. energy: 1.153
local terms energy: -293.091612
where:
bonds (distance) C4'-P energy: -84.686
bonds (distance) P-C4' energy: -93.569
flat angles C4'-P-C4' energy: -75.583
flat angles P-C4'-P energy: -54.521
tors. eta vs tors. theta energy: 15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1718.120320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.120320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.120320 (E_RNA)
where:
Base-Base interactions energy: -1183.701
where: short stacking energy: -475.475
Base-Backbone interact. energy: 0.259
local terms energy: -534.678441
where:
bonds (distance) C4'-P energy: -97.993
bonds (distance) P-C4' energy: -97.587
flat angles C4'-P-C4' energy: -118.348
flat angles P-C4'-P energy: -79.024
tors. eta vs tors. theta energy: -141.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1614.478338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.478338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.478338 (E_RNA)
where:
Base-Base interactions energy: -1089.861
where: short stacking energy: -493.052
Base-Backbone interact. energy: -2.395
local terms energy: -522.222024
where:
bonds (distance) C4'-P energy: -95.624
bonds (distance) P-C4' energy: -100.390
flat angles C4'-P-C4' energy: -115.229
flat angles P-C4'-P energy: -69.468
tors. eta vs tors. theta energy: -141.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1578.464762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.464762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.464762 (E_RNA)
where:
Base-Base interactions energy: -1063.196
where: short stacking energy: -459.761
Base-Backbone interact. energy: -1.230
local terms energy: -514.038892
where:
bonds (distance) C4'-P energy: -104.209
bonds (distance) P-C4' energy: -105.025
flat angles C4'-P-C4' energy: -112.192
flat angles P-C4'-P energy: -65.094
tors. eta vs tors. theta energy: -127.519
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: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1479.658128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.658128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.658128 (E_RNA)
where:
Base-Base interactions energy: -1000.146
where: short stacking energy: -408.322
Base-Backbone interact. energy: -2.361
local terms energy: -477.151267
where:
bonds (distance) C4'-P energy: -88.124
bonds (distance) P-C4' energy: -99.640
flat angles C4'-P-C4' energy: -103.869
flat angles P-C4'-P energy: -65.900
tors. eta vs tors. theta energy: -119.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1317.035299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.035299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.035299 (E_RNA)
where:
Base-Base interactions energy: -872.634
where: short stacking energy: -401.812
Base-Backbone interact. energy: -1.454
local terms energy: -442.947537
where:
bonds (distance) C4'-P energy: -78.222
bonds (distance) P-C4' energy: -108.728
flat angles C4'-P-C4' energy: -93.532
flat angles P-C4'-P energy: -67.466
tors. eta vs tors. theta energy: -95.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1240.711759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.711759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.711759 (E_RNA)
where:
Base-Base interactions energy: -777.381
where: short stacking energy: -359.626
Base-Backbone interact. energy: -0.541
local terms energy: -462.789100
where:
bonds (distance) C4'-P energy: -96.667
bonds (distance) P-C4' energy: -86.609
flat angles C4'-P-C4' energy: -106.748
flat angles P-C4'-P energy: -60.123
tors. eta vs tors. theta energy: -112.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1118.103297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.103297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.103297 (E_RNA)
where:
Base-Base interactions energy: -701.596
where: short stacking energy: -306.381
Base-Backbone interact. energy: -2.195
local terms energy: -414.312654
where:
bonds (distance) C4'-P energy: -93.211
bonds (distance) P-C4' energy: -88.062
flat angles C4'-P-C4' energy: -92.169
flat angles P-C4'-P energy: -71.614
tors. eta vs tors. theta energy: -69.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -829.423865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.423865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.423865 (E_RNA)
where:
Base-Base interactions energy: -474.865
where: short stacking energy: -242.995
Base-Backbone interact. energy: 3.019
local terms energy: -357.577323
where:
bonds (distance) C4'-P energy: -85.114
bonds (distance) P-C4' energy: -90.230
flat angles C4'-P-C4' energy: -86.139
flat angles P-C4'-P energy: -58.171
tors. eta vs tors. theta energy: -37.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -688.838425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.838425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.838425 (E_RNA)
where:
Base-Base interactions energy: -378.398
where: short stacking energy: -173.521
Base-Backbone interact. energy: -4.365
local terms energy: -306.075156
where:
bonds (distance) C4'-P energy: -88.677
bonds (distance) P-C4' energy: -89.979
flat angles C4'-P-C4' energy: -67.120
flat angles P-C4'-P energy: -49.454
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -580.114895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.114895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.114895 (E_RNA)
where:
Base-Base interactions energy: -297.886
where: short stacking energy: -152.440
Base-Backbone interact. energy: 0.025
local terms energy: -282.253948
where:
bonds (distance) C4'-P energy: -78.951
bonds (distance) P-C4' energy: -92.347
flat angles C4'-P-C4' energy: -68.099
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: 0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1728.847247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.847247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.847247 (E_RNA)
where:
Base-Base interactions energy: -1187.208
where: short stacking energy: -490.570
Base-Backbone interact. energy: -2.828
local terms energy: -538.810809
where:
bonds (distance) C4'-P energy: -101.411
bonds (distance) P-C4' energy: -94.957
flat angles C4'-P-C4' energy: -118.689
flat angles P-C4'-P energy: -83.455
tors. eta vs tors. theta energy: -140.299
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: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1693.462874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.462874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.462874 (E_RNA)
where:
Base-Base interactions energy: -1147.112
where: short stacking energy: -510.593
Base-Backbone interact. energy: -1.158
local terms energy: -545.192035
where:
bonds (distance) C4'-P energy: -100.025
bonds (distance) P-C4' energy: -101.178
flat angles C4'-P-C4' energy: -110.941
flat angles P-C4'-P energy: -79.087
tors. eta vs tors. theta energy: -153.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1599.933732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.933732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.933732 (E_RNA)
where:
Base-Base interactions energy: -1076.420
where: short stacking energy: -467.173
Base-Backbone interact. energy: 7.248
local terms energy: -530.761929
where:
bonds (distance) C4'-P energy: -106.424
bonds (distance) P-C4' energy: -99.702
flat angles C4'-P-C4' energy: -117.072
flat angles P-C4'-P energy: -67.531
tors. eta vs tors. theta energy: -140.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1475.339113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.339113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.339113 (E_RNA)
where:
Base-Base interactions energy: -1026.479
where: short stacking energy: -426.754
Base-Backbone interact. energy: -0.112
local terms energy: -448.747995
where:
bonds (distance) C4'-P energy: -93.352
bonds (distance) P-C4' energy: -80.830
flat angles C4'-P-C4' energy: -95.813
flat angles P-C4'-P energy: -58.552
tors. eta vs tors. theta energy: -120.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1334.818373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.818373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.818373 (E_RNA)
where:
Base-Base interactions energy: -872.825
where: short stacking energy: -407.661
Base-Backbone interact. energy: 2.131
local terms energy: -464.124885
where:
bonds (distance) C4'-P energy: -94.305
bonds (distance) P-C4' energy: -100.961
flat angles C4'-P-C4' energy: -104.742
flat angles P-C4'-P energy: -65.729
tors. eta vs tors. theta energy: -98.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1286.608415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.608415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.608415 (E_RNA)
where:
Base-Base interactions energy: -828.162
where: short stacking energy: -362.259
Base-Backbone interact. energy: -3.238
local terms energy: -455.208484
where:
bonds (distance) C4'-P energy: -105.955
bonds (distance) P-C4' energy: -94.856
flat angles C4'-P-C4' energy: -95.626
flat angles P-C4'-P energy: -63.286
tors. eta vs tors. theta energy: -95.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1072.760350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.760350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.760350 (E_RNA)
where:
Base-Base interactions energy: -672.349
where: short stacking energy: -299.614
Base-Backbone interact. energy: -3.152
local terms energy: -397.260104
where:
bonds (distance) C4'-P energy: -83.367
bonds (distance) P-C4' energy: -92.556
flat angles C4'-P-C4' energy: -101.174
flat angles P-C4'-P energy: -53.485
tors. eta vs tors. theta energy: -66.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -859.960061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.960061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.960061 (E_RNA)
where:
Base-Base interactions energy: -487.858
where: short stacking energy: -243.247
Base-Backbone interact. energy: 3.586
local terms energy: -375.687694
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -86.188
flat angles C4'-P-C4' energy: -98.121
flat angles P-C4'-P energy: -53.048
tors. eta vs tors. theta energy: -46.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -694.466211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.466211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.466211 (E_RNA)
where:
Base-Base interactions energy: -406.390
where: short stacking energy: -195.340
Base-Backbone interact. energy: 2.967
local terms energy: -291.043405
where:
bonds (distance) C4'-P energy: -85.550
bonds (distance) P-C4' energy: -78.259
flat angles C4'-P-C4' energy: -83.013
flat angles P-C4'-P energy: -32.134
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -572.534041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.534041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.534041 (E_RNA)
where:
Base-Base interactions energy: -299.025
where: short stacking energy: -168.626
Base-Backbone interact. energy: 0.995
local terms energy: -274.503542
where:
bonds (distance) C4'-P energy: -87.726
bonds (distance) P-C4' energy: -69.172
flat angles C4'-P-C4' energy: -63.161
flat angles P-C4'-P energy: -56.228
tors. eta vs tors. theta energy: 1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1753.175317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.175317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.175317 (E_RNA)
where:
Base-Base interactions energy: -1208.918
where: short stacking energy: -507.941
Base-Backbone interact. energy: -0.893
local terms energy: -543.364563
where:
bonds (distance) C4'-P energy: -106.583
bonds (distance) P-C4' energy: -106.061
flat angles C4'-P-C4' energy: -116.452
flat angles P-C4'-P energy: -71.822
tors. eta vs tors. theta energy: -142.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1679.967021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.967021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.967021 (E_RNA)
where:
Base-Base interactions energy: -1121.339
where: short stacking energy: -507.618
Base-Backbone interact. energy: -1.657
local terms energy: -556.971022
where:
bonds (distance) C4'-P energy: -100.423
bonds (distance) P-C4' energy: -97.132
flat angles C4'-P-C4' energy: -120.732
flat angles P-C4'-P energy: -74.596
tors. eta vs tors. theta energy: -164.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1612.068451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.068451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.068451 (E_RNA)
where:
Base-Base interactions energy: -1087.403
where: short stacking energy: -482.480
Base-Backbone interact. energy: -0.844
local terms energy: -523.821649
where:
bonds (distance) C4'-P energy: -82.918
bonds (distance) P-C4' energy: -105.734
flat angles C4'-P-C4' energy: -114.818
flat angles P-C4'-P energy: -79.896
tors. eta vs tors. theta energy: -140.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1487.981087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.981087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.981087 (E_RNA)
where:
Base-Base interactions energy: -982.820
where: short stacking energy: -410.702
Base-Backbone interact. energy: 0.116
local terms energy: -505.277316
where:
bonds (distance) C4'-P energy: -109.177
bonds (distance) P-C4' energy: -98.793
flat angles C4'-P-C4' energy: -106.223
flat angles P-C4'-P energy: -75.772
tors. eta vs tors. theta energy: -115.313
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: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1348.225196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.225196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.225196 (E_RNA)
where:
Base-Base interactions energy: -897.424
where: short stacking energy: -413.638
Base-Backbone interact. energy: 0.999
local terms energy: -451.800201
where:
bonds (distance) C4'-P energy: -86.325
bonds (distance) P-C4' energy: -98.791
flat angles C4'-P-C4' energy: -100.655
flat angles P-C4'-P energy: -68.185
tors. eta vs tors. theta energy: -97.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1260.940320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.940320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.940320 (E_RNA)
where:
Base-Base interactions energy: -837.561
where: short stacking energy: -392.416
Base-Backbone interact. energy: 1.934
local terms energy: -425.312749
where:
bonds (distance) C4'-P energy: -85.724
bonds (distance) P-C4' energy: -91.504
flat angles C4'-P-C4' energy: -95.219
flat angles P-C4'-P energy: -54.870
tors. eta vs tors. theta energy: -97.996
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: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1098.832260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.832260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.832260 (E_RNA)
where:
Base-Base interactions energy: -671.065
where: short stacking energy: -308.897
Base-Backbone interact. energy: -2.111
local terms energy: -425.655871
where:
bonds (distance) C4'-P energy: -86.355
bonds (distance) P-C4' energy: -93.886
flat angles C4'-P-C4' energy: -102.137
flat angles P-C4'-P energy: -71.089
tors. eta vs tors. theta energy: -72.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -855.933272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.933272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.933272 (E_RNA)
where:
Base-Base interactions energy: -487.903
where: short stacking energy: -229.425
Base-Backbone interact. energy: 3.627
local terms energy: -371.657087
where:
bonds (distance) C4'-P energy: -61.798
bonds (distance) P-C4' energy: -100.214
flat angles C4'-P-C4' energy: -96.045
flat angles P-C4'-P energy: -68.819
tors. eta vs tors. theta energy: -44.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -698.659476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.659476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.659476 (E_RNA)
where:
Base-Base interactions energy: -386.574
where: short stacking energy: -206.764
Base-Backbone interact. energy: 3.052
local terms energy: -315.136826
where:
bonds (distance) C4'-P energy: -77.038
bonds (distance) P-C4' energy: -84.753
flat angles C4'-P-C4' energy: -89.793
flat angles P-C4'-P energy: -48.454
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -555.113368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.113368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.113368 (E_RNA)
where:
Base-Base interactions energy: -297.685
where: short stacking energy: -162.635
Base-Backbone interact. energy: -1.526
local terms energy: -255.903011
where:
bonds (distance) C4'-P energy: -67.791
bonds (distance) P-C4' energy: -82.305
flat angles C4'-P-C4' energy: -71.480
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: -5.814
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: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1759.069536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.069536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.069536 (E_RNA)
where:
Base-Base interactions energy: -1199.379
where: short stacking energy: -499.116
Base-Backbone interact. energy: -4.025
local terms energy: -555.665586
where:
bonds (distance) C4'-P energy: -97.494
bonds (distance) P-C4' energy: -109.833
flat angles C4'-P-C4' energy: -122.412
flat angles P-C4'-P energy: -80.609
tors. eta vs tors. theta energy: -145.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1655.217904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.217904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.217904 (E_RNA)
where:
Base-Base interactions energy: -1130.550
where: short stacking energy: -501.063
Base-Backbone interact. energy: -0.732
local terms energy: -523.935859
where:
bonds (distance) C4'-P energy: -96.415
bonds (distance) P-C4' energy: -96.321
flat angles C4'-P-C4' energy: -118.768
flat angles P-C4'-P energy: -60.955
tors. eta vs tors. theta energy: -151.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1633.058300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.058300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.058300 (E_RNA)
where:
Base-Base interactions energy: -1092.059
where: short stacking energy: -471.892
Base-Backbone interact. energy: 1.895
local terms energy: -542.893633
where:
bonds (distance) C4'-P energy: -96.154
bonds (distance) P-C4' energy: -111.088
flat angles C4'-P-C4' energy: -115.005
flat angles P-C4'-P energy: -74.741
tors. eta vs tors. theta energy: -145.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1496.943413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.943413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.943413 (E_RNA)
where:
Base-Base interactions energy: -999.678
where: short stacking energy: -423.237
Base-Backbone interact. energy: 6.002
local terms energy: -503.267237
where:
bonds (distance) C4'-P energy: -100.235
bonds (distance) P-C4' energy: -95.367
flat angles C4'-P-C4' energy: -112.115
flat angles P-C4'-P energy: -79.558
tors. eta vs tors. theta energy: -115.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1339.678051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.678051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.678051 (E_RNA)
where:
Base-Base interactions energy: -877.450
where: short stacking energy: -407.173
Base-Backbone interact. energy: 4.344
local terms energy: -466.572113
where:
bonds (distance) C4'-P energy: -90.213
bonds (distance) P-C4' energy: -94.019
flat angles C4'-P-C4' energy: -97.684
flat angles P-C4'-P energy: -75.525
tors. eta vs tors. theta energy: -109.132
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: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1251.936309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.936309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.936309 (E_RNA)
where:
Base-Base interactions energy: -822.548
where: short stacking energy: -372.764
Base-Backbone interact. energy: 1.752
local terms energy: -431.140656
where:
bonds (distance) C4'-P energy: -86.614
bonds (distance) P-C4' energy: -98.554
flat angles C4'-P-C4' energy: -93.194
flat angles P-C4'-P energy: -57.031
tors. eta vs tors. theta energy: -95.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1075.992672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.992672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.992672 (E_RNA)
where:
Base-Base interactions energy: -671.140
where: short stacking energy: -289.267
Base-Backbone interact. energy: -2.029
local terms energy: -402.823838
where:
bonds (distance) C4'-P energy: -80.961
bonds (distance) P-C4' energy: -103.142
flat angles C4'-P-C4' energy: -94.767
flat angles P-C4'-P energy: -48.682
tors. eta vs tors. theta energy: -75.272
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: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -810.600538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.600538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.600538 (E_RNA)
where:
Base-Base interactions energy: -483.699
where: short stacking energy: -233.372
Base-Backbone interact. energy: -3.075
local terms energy: -323.825990
where:
bonds (distance) C4'-P energy: -72.430
bonds (distance) P-C4' energy: -95.171
flat angles C4'-P-C4' energy: -70.933
flat angles P-C4'-P energy: -52.694
tors. eta vs tors. theta energy: -32.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -710.034838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.034838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.034838 (E_RNA)
where:
Base-Base interactions energy: -388.442
where: short stacking energy: -189.804
Base-Backbone interact. energy: -2.588
local terms energy: -319.004483
where:
bonds (distance) C4'-P energy: -77.998
bonds (distance) P-C4' energy: -84.804
flat angles C4'-P-C4' energy: -80.607
flat angles P-C4'-P energy: -59.832
tors. eta vs tors. theta energy: -15.764
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: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -585.261396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.261396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.261396 (E_RNA)
where:
Base-Base interactions energy: -266.840
where: short stacking energy: -144.835
Base-Backbone interact. energy: -3.416
local terms energy: -315.005659
where:
bonds (distance) C4'-P energy: -77.956
bonds (distance) P-C4' energy: -87.686
flat angles C4'-P-C4' energy: -86.662
flat angles P-C4'-P energy: -63.069
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1751.726013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.726013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.726013 (E_RNA)
where:
Base-Base interactions energy: -1218.834
where: short stacking energy: -507.447
Base-Backbone interact. energy: -1.196
local terms energy: -531.696444
where:
bonds (distance) C4'-P energy: -98.407
bonds (distance) P-C4' energy: -104.425
flat angles C4'-P-C4' energy: -116.819
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -141.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1667.263708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.263708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.263708 (E_RNA)
where:
Base-Base interactions energy: -1122.516
where: short stacking energy: -496.588
Base-Backbone interact. energy: -2.004
local terms energy: -542.742726
where:
bonds (distance) C4'-P energy: -104.647
bonds (distance) P-C4' energy: -95.129
flat angles C4'-P-C4' energy: -108.539
flat angles P-C4'-P energy: -80.093
tors. eta vs tors. theta energy: -154.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1595.237539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.237539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.237539 (E_RNA)
where:
Base-Base interactions energy: -1102.997
where: short stacking energy: -468.581
Base-Backbone interact. energy: -0.706
local terms energy: -491.534694
where:
bonds (distance) C4'-P energy: -85.909
bonds (distance) P-C4' energy: -95.302
flat angles C4'-P-C4' energy: -106.220
flat angles P-C4'-P energy: -67.879
tors. eta vs tors. theta energy: -136.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1475.673041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.673041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.673041 (E_RNA)
where:
Base-Base interactions energy: -978.363
where: short stacking energy: -431.660
Base-Backbone interact. energy: -0.230
local terms energy: -497.079958
where:
bonds (distance) C4'-P energy: -93.911
bonds (distance) P-C4' energy: -94.555
flat angles C4'-P-C4' energy: -99.328
flat angles P-C4'-P energy: -77.434
tors. eta vs tors. theta energy: -131.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1269.580430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.580430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.580430 (E_RNA)
where:
Base-Base interactions energy: -851.898
where: short stacking energy: -370.538
Base-Backbone interact. energy: 1.283
local terms energy: -418.965018
where:
bonds (distance) C4'-P energy: -88.480
bonds (distance) P-C4' energy: -84.908
flat angles C4'-P-C4' energy: -100.907
flat angles P-C4'-P energy: -56.956
tors. eta vs tors. theta energy: -87.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1261.516177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.516177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.516177 (E_RNA)
where:
Base-Base interactions energy: -827.232
where: short stacking energy: -371.071
Base-Backbone interact. energy: -2.046
local terms energy: -432.238189
where:
bonds (distance) C4'-P energy: -79.258
bonds (distance) P-C4' energy: -92.013
flat angles C4'-P-C4' energy: -90.865
flat angles P-C4'-P energy: -74.396
tors. eta vs tors. theta energy: -95.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1040.055610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.055610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.055610 (E_RNA)
where:
Base-Base interactions energy: -655.092
where: short stacking energy: -292.449
Base-Backbone interact. energy: 1.703
local terms energy: -386.666725
where:
bonds (distance) C4'-P energy: -67.816
bonds (distance) P-C4' energy: -98.190
flat angles C4'-P-C4' energy: -107.710
flat angles P-C4'-P energy: -57.079
tors. eta vs tors. theta energy: -55.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -848.157770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.157770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.157770 (E_RNA)
where:
Base-Base interactions energy: -512.832
where: short stacking energy: -251.885
Base-Backbone interact. energy: -0.407
local terms energy: -334.918414
where:
bonds (distance) C4'-P energy: -81.526
bonds (distance) P-C4' energy: -83.323
flat angles C4'-P-C4' energy: -81.033
flat angles P-C4'-P energy: -41.063
tors. eta vs tors. theta energy: -47.973
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: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -701.764051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.764051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.764051 (E_RNA)
where:
Base-Base interactions energy: -416.738
where: short stacking energy: -213.379
Base-Backbone interact. energy: 2.737
local terms energy: -287.763209
where:
bonds (distance) C4'-P energy: -71.191
bonds (distance) P-C4' energy: -82.538
flat angles C4'-P-C4' energy: -66.490
flat angles P-C4'-P energy: -48.134
tors. eta vs tors. theta energy: -19.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -639.379704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.379704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.379704 (E_RNA)
where:
Base-Base interactions energy: -360.031
where: short stacking energy: -190.106
Base-Backbone interact. energy: 2.852
local terms energy: -282.201518
where:
bonds (distance) C4'-P energy: -78.098
bonds (distance) P-C4' energy: -76.172
flat angles C4'-P-C4' energy: -80.298
flat angles P-C4'-P energy: -43.625
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1744.980803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.980803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.980803 (E_RNA)
where:
Base-Base interactions energy: -1199.509
where: short stacking energy: -485.970
Base-Backbone interact. energy: -5.090
local terms energy: -540.381486
where:
bonds (distance) C4'-P energy: -93.778
bonds (distance) P-C4' energy: -104.808
flat angles C4'-P-C4' energy: -122.740
flat angles P-C4'-P energy: -78.322
tors. eta vs tors. theta energy: -140.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1656.618113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.618113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.618113 (E_RNA)
where:
Base-Base interactions energy: -1110.744
where: short stacking energy: -478.727
Base-Backbone interact. energy: -1.704
local terms energy: -544.169982
where:
bonds (distance) C4'-P energy: -101.165
bonds (distance) P-C4' energy: -100.689
flat angles C4'-P-C4' energy: -110.273
flat angles P-C4'-P energy: -81.540
tors. eta vs tors. theta energy: -150.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1586.914929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.914929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.914929 (E_RNA)
where:
Base-Base interactions energy: -1056.358
where: short stacking energy: -459.821
Base-Backbone interact. energy: -5.182
local terms energy: -525.375084
where:
bonds (distance) C4'-P energy: -93.204
bonds (distance) P-C4' energy: -115.719
flat angles C4'-P-C4' energy: -106.317
flat angles P-C4'-P energy: -74.786
tors. eta vs tors. theta energy: -135.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1491.338610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.338610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.338610 (E_RNA)
where:
Base-Base interactions energy: -976.350
where: short stacking energy: -443.436
Base-Backbone interact. energy: -1.268
local terms energy: -513.720894
where:
bonds (distance) C4'-P energy: -91.436
bonds (distance) P-C4' energy: -98.834
flat angles C4'-P-C4' energy: -111.554
flat angles P-C4'-P energy: -80.211
tors. eta vs tors. theta energy: -131.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1292.084289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.084289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.084289 (E_RNA)
where:
Base-Base interactions energy: -838.671
where: short stacking energy: -382.013
Base-Backbone interact. energy: -2.415
local terms energy: -450.998307
where:
bonds (distance) C4'-P energy: -94.319
bonds (distance) P-C4' energy: -95.567
flat angles C4'-P-C4' energy: -94.301
flat angles P-C4'-P energy: -66.930
tors. eta vs tors. theta energy: -99.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1256.668823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.668823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.668823 (E_RNA)
where:
Base-Base interactions energy: -814.154
where: short stacking energy: -343.422
Base-Backbone interact. energy: -2.269
local terms energy: -440.246398
where:
bonds (distance) C4'-P energy: -86.180
bonds (distance) P-C4' energy: -99.995
flat angles C4'-P-C4' energy: -103.900
flat angles P-C4'-P energy: -66.024
tors. eta vs tors. theta energy: -84.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1065.645544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.645544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.645544 (E_RNA)
where:
Base-Base interactions energy: -665.930
where: short stacking energy: -303.682
Base-Backbone interact. energy: -4.528
local terms energy: -395.187273
where:
bonds (distance) C4'-P energy: -88.065
bonds (distance) P-C4' energy: -89.274
flat angles C4'-P-C4' energy: -91.865
flat angles P-C4'-P energy: -54.839
tors. eta vs tors. theta energy: -71.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -879.067687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.067687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.067687 (E_RNA)
where:
Base-Base interactions energy: -540.500
where: short stacking energy: -265.720
Base-Backbone interact. energy: -2.620
local terms energy: -335.947072
where:
bonds (distance) C4'-P energy: -77.313
bonds (distance) P-C4' energy: -80.929
flat angles C4'-P-C4' energy: -80.295
flat angles P-C4'-P energy: -51.194
tors. eta vs tors. theta energy: -46.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -711.898846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.898846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.898846 (E_RNA)
where:
Base-Base interactions energy: -398.735
where: short stacking energy: -215.614
Base-Backbone interact. energy: -1.066
local terms energy: -312.097408
where:
bonds (distance) C4'-P energy: -81.859
bonds (distance) P-C4' energy: -82.007
flat angles C4'-P-C4' energy: -84.765
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -15.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -645.297442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.297442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.297442 (E_RNA)
where:
Base-Base interactions energy: -318.876
where: short stacking energy: -181.135
Base-Backbone interact. energy: -1.870
local terms energy: -324.550745
where:
bonds (distance) C4'-P energy: -87.454
bonds (distance) P-C4' energy: -92.097
flat angles C4'-P-C4' energy: -80.469
flat angles P-C4'-P energy: -49.794
tors. eta vs tors. theta energy: -14.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1750.150595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.150595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.150595 (E_RNA)
where:
Base-Base interactions energy: -1198.433
where: short stacking energy: -517.301
Base-Backbone interact. energy: -1.781
local terms energy: -549.935959
where:
bonds (distance) C4'-P energy: -110.283
bonds (distance) P-C4' energy: -93.502
flat angles C4'-P-C4' energy: -122.499
flat angles P-C4'-P energy: -75.121
tors. eta vs tors. theta energy: -148.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1661.642352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.642352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.642352 (E_RNA)
where:
Base-Base interactions energy: -1117.572
where: short stacking energy: -499.566
Base-Backbone interact. energy: -1.807
local terms energy: -542.262908
where:
bonds (distance) C4'-P energy: -99.462
bonds (distance) P-C4' energy: -93.818
flat angles C4'-P-C4' energy: -115.518
flat angles P-C4'-P energy: -78.119
tors. eta vs tors. theta energy: -155.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1600.933072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.933072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.933072 (E_RNA)
where:
Base-Base interactions energy: -1056.429
where: short stacking energy: -454.490
Base-Backbone interact. energy: -2.807
local terms energy: -541.696462
where:
bonds (distance) C4'-P energy: -107.622
bonds (distance) P-C4' energy: -111.176
flat angles C4'-P-C4' energy: -107.717
flat angles P-C4'-P energy: -75.778
tors. eta vs tors. theta energy: -139.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1487.675919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.675919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.675919 (E_RNA)
where:
Base-Base interactions energy: -1003.144
where: short stacking energy: -419.764
Base-Backbone interact. energy: -0.368
local terms energy: -484.163787
where:
bonds (distance) C4'-P energy: -80.747
bonds (distance) P-C4' energy: -106.105
flat angles C4'-P-C4' energy: -101.256
flat angles P-C4'-P energy: -72.004
tors. eta vs tors. theta energy: -124.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1351.223349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.223349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.223349 (E_RNA)
where:
Base-Base interactions energy: -882.179
where: short stacking energy: -396.867
Base-Backbone interact. energy: -3.563
local terms energy: -465.480858
where:
bonds (distance) C4'-P energy: -85.218
bonds (distance) P-C4' energy: -92.860
flat angles C4'-P-C4' energy: -101.245
flat angles P-C4'-P energy: -69.538
tors. eta vs tors. theta energy: -116.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1248.155963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.155963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.155963 (E_RNA)
where:
Base-Base interactions energy: -807.429
where: short stacking energy: -366.065
Base-Backbone interact. energy: -3.399
local terms energy: -437.328181
where:
bonds (distance) C4'-P energy: -96.475
bonds (distance) P-C4' energy: -94.150
flat angles C4'-P-C4' energy: -106.407
flat angles P-C4'-P energy: -52.708
tors. eta vs tors. theta energy: -87.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1055.408519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.408519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.408519 (E_RNA)
where:
Base-Base interactions energy: -673.055
where: short stacking energy: -304.612
Base-Backbone interact. energy: 0.165
local terms energy: -382.518158
where:
bonds (distance) C4'-P energy: -85.506
bonds (distance) P-C4' energy: -88.094
flat angles C4'-P-C4' energy: -89.046
flat angles P-C4'-P energy: -52.406
tors. eta vs tors. theta energy: -67.465
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: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -893.297600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.297600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.297600 (E_RNA)
where:
Base-Base interactions energy: -529.660
where: short stacking energy: -260.305
Base-Backbone interact. energy: -1.832
local terms energy: -362.000502
where:
bonds (distance) C4'-P energy: -78.307
bonds (distance) P-C4' energy: -83.303
flat angles C4'-P-C4' energy: -84.057
flat angles P-C4'-P energy: -55.760
tors. eta vs tors. theta energy: -60.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.194 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -679.036230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.036230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.036230 (E_RNA)
where:
Base-Base interactions energy: -359.530
where: short stacking energy: -201.992
Base-Backbone interact. energy: 2.576
local terms energy: -322.081743
where:
bonds (distance) C4'-P energy: -79.174
bonds (distance) P-C4' energy: -83.426
flat angles C4'-P-C4' energy: -74.210
flat angles P-C4'-P energy: -61.515
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -695.595267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.595267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.595267 (E_RNA)
where:
Base-Base interactions energy: -394.029
where: short stacking energy: -200.063
Base-Backbone interact. energy: 0.525
local terms energy: -302.091334
where:
bonds (distance) C4'-P energy: -76.835
bonds (distance) P-C4' energy: -81.044
flat angles C4'-P-C4' energy: -79.360
flat angles P-C4'-P energy: -49.422
tors. eta vs tors. theta energy: -15.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1744.009115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.009115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.009115 (E_RNA)
where:
Base-Base interactions energy: -1190.396
where: short stacking energy: -511.992
Base-Backbone interact. energy: 2.549
local terms energy: -556.161452
where:
bonds (distance) C4'-P energy: -96.358
bonds (distance) P-C4' energy: -103.084
flat angles C4'-P-C4' energy: -121.503
flat angles P-C4'-P energy: -85.343
tors. eta vs tors. theta energy: -149.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1658.522363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.522363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.522363 (E_RNA)
where:
Base-Base interactions energy: -1107.392
where: short stacking energy: -479.265
Base-Backbone interact. energy: 0.253
local terms energy: -551.383363
where:
bonds (distance) C4'-P energy: -101.443
bonds (distance) P-C4' energy: -107.935
flat angles C4'-P-C4' energy: -117.409
flat angles P-C4'-P energy: -78.416
tors. eta vs tors. theta energy: -146.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1555.999452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.999452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.999452 (E_RNA)
where:
Base-Base interactions energy: -1073.649
where: short stacking energy: -462.927
Base-Backbone interact. energy: 9.247
local terms energy: -491.597601
where:
bonds (distance) C4'-P energy: -86.480
bonds (distance) P-C4' energy: -94.363
flat angles C4'-P-C4' energy: -104.644
flat angles P-C4'-P energy: -75.134
tors. eta vs tors. theta energy: -130.976
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: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1476.572504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.572504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.572504 (E_RNA)
where:
Base-Base interactions energy: -982.523
where: short stacking energy: -419.383
Base-Backbone interact. energy: 0.449
local terms energy: -494.497639
where:
bonds (distance) C4'-P energy: -87.548
bonds (distance) P-C4' energy: -100.812
flat angles C4'-P-C4' energy: -104.116
flat angles P-C4'-P energy: -83.327
tors. eta vs tors. theta energy: -118.695
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: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1388.396923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.396923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.396923 (E_RNA)
where:
Base-Base interactions energy: -911.065
where: short stacking energy: -399.864
Base-Backbone interact. energy: -1.647
local terms energy: -475.685047
where:
bonds (distance) C4'-P energy: -90.399
bonds (distance) P-C4' energy: -95.135
flat angles C4'-P-C4' energy: -113.310
flat angles P-C4'-P energy: -61.144
tors. eta vs tors. theta energy: -115.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1197.881409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.881409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.881409 (E_RNA)
where:
Base-Base interactions energy: -776.458
where: short stacking energy: -341.409
Base-Backbone interact. energy: 2.011
local terms energy: -423.433738
where:
bonds (distance) C4'-P energy: -102.866
bonds (distance) P-C4' energy: -80.147
flat angles C4'-P-C4' energy: -94.083
flat angles P-C4'-P energy: -60.907
tors. eta vs tors. theta energy: -85.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1056.689389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.689389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.689389 (E_RNA)
where:
Base-Base interactions energy: -674.738
where: short stacking energy: -317.443
Base-Backbone interact. energy: -2.945
local terms energy: -379.006644
where:
bonds (distance) C4'-P energy: -79.005
bonds (distance) P-C4' energy: -90.473
flat angles C4'-P-C4' energy: -91.010
flat angles P-C4'-P energy: -56.899
tors. eta vs tors. theta energy: -61.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -924.294515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.294515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.294515 (E_RNA)
where:
Base-Base interactions energy: -552.802
where: short stacking energy: -264.183
Base-Backbone interact. energy: 0.124
local terms energy: -371.616474
where:
bonds (distance) C4'-P energy: -88.594
bonds (distance) P-C4' energy: -80.758
flat angles C4'-P-C4' energy: -100.787
flat angles P-C4'-P energy: -51.082
tors. eta vs tors. theta energy: -50.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -684.271255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.271255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.271255 (E_RNA)
where:
Base-Base interactions energy: -357.422
where: short stacking energy: -203.467
Base-Backbone interact. energy: 0.822
local terms energy: -327.671152
where:
bonds (distance) C4'-P energy: -92.260
bonds (distance) P-C4' energy: -85.215
flat angles C4'-P-C4' energy: -80.040
flat angles P-C4'-P energy: -59.429
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -745.856754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.856754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.856754 (E_RNA)
where:
Base-Base interactions energy: -439.372
where: short stacking energy: -221.984
Base-Backbone interact. energy: 0.677
local terms energy: -307.161868
where:
bonds (distance) C4'-P energy: -68.103
bonds (distance) P-C4' energy: -93.310
flat angles C4'-P-C4' energy: -77.129
flat angles P-C4'-P energy: -51.237
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1717.127890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.127890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.127890 (E_RNA)
where:
Base-Base interactions energy: -1155.410
where: short stacking energy: -482.672
Base-Backbone interact. energy: -5.165
local terms energy: -556.553722
where:
bonds (distance) C4'-P energy: -101.482
bonds (distance) P-C4' energy: -111.475
flat angles C4'-P-C4' energy: -114.562
flat angles P-C4'-P energy: -90.175
tors. eta vs tors. theta energy: -138.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1648.871509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.871509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.871509 (E_RNA)
where:
Base-Base interactions energy: -1102.000
where: short stacking energy: -493.954
Base-Backbone interact. energy: -1.615
local terms energy: -545.255795
where:
bonds (distance) C4'-P energy: -107.560
bonds (distance) P-C4' energy: -103.822
flat angles C4'-P-C4' energy: -116.241
flat angles P-C4'-P energy: -73.264
tors. eta vs tors. theta energy: -144.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1587.804168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.804168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.804168 (E_RNA)
where:
Base-Base interactions energy: -1121.842
where: short stacking energy: -471.640
Base-Backbone interact. energy: -1.348
local terms energy: -464.614539
where:
bonds (distance) C4'-P energy: -85.352
bonds (distance) P-C4' energy: -91.665
flat angles C4'-P-C4' energy: -99.238
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -125.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1465.003466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.003466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.003466 (E_RNA)
where:
Base-Base interactions energy: -974.671
where: short stacking energy: -413.029
Base-Backbone interact. energy: -0.438
local terms energy: -489.894581
where:
bonds (distance) C4'-P energy: -103.173
bonds (distance) P-C4' energy: -105.458
flat angles C4'-P-C4' energy: -104.060
flat angles P-C4'-P energy: -58.731
tors. eta vs tors. theta energy: -118.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1407.000097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.000097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.000097 (E_RNA)
where:
Base-Base interactions energy: -922.783
where: short stacking energy: -411.018
Base-Backbone interact. energy: -1.766
local terms energy: -482.451197
where:
bonds (distance) C4'-P energy: -103.373
bonds (distance) P-C4' energy: -89.136
flat angles C4'-P-C4' energy: -96.085
flat angles P-C4'-P energy: -64.514
tors. eta vs tors. theta energy: -129.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1210.782291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.782291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.782291 (E_RNA)
where:
Base-Base interactions energy: -780.117
where: short stacking energy: -344.308
Base-Backbone interact. energy: -3.267
local terms energy: -427.398038
where:
bonds (distance) C4'-P energy: -88.717
bonds (distance) P-C4' energy: -111.741
flat angles C4'-P-C4' energy: -93.562
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -87.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1013.278460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.278460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.278460 (E_RNA)
where:
Base-Base interactions energy: -658.077
where: short stacking energy: -295.511
Base-Backbone interact. energy: 0.348
local terms energy: -355.550045
where:
bonds (distance) C4'-P energy: -64.911
bonds (distance) P-C4' energy: -79.563
flat angles C4'-P-C4' energy: -90.550
flat angles P-C4'-P energy: -63.082
tors. eta vs tors. theta energy: -57.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -894.684724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.684724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.684724 (E_RNA)
where:
Base-Base interactions energy: -533.395
where: short stacking energy: -242.736
Base-Backbone interact. energy: -4.616
local terms energy: -356.673325
where:
bonds (distance) C4'-P energy: -94.605
bonds (distance) P-C4' energy: -89.010
flat angles C4'-P-C4' energy: -82.033
flat angles P-C4'-P energy: -57.683
tors. eta vs tors. theta energy: -33.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -790.112738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.112738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.112738 (E_RNA)
where:
Base-Base interactions energy: -462.110
where: short stacking energy: -225.923
Base-Backbone interact. energy: 3.098
local terms energy: -331.101250
where:
bonds (distance) C4'-P energy: -86.120
bonds (distance) P-C4' energy: -90.978
flat angles C4'-P-C4' energy: -72.947
flat angles P-C4'-P energy: -47.953
tors. eta vs tors. theta energy: -33.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -661.457762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.457762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.457762 (E_RNA)
where:
Base-Base interactions energy: -373.617
where: short stacking energy: -199.971
Base-Backbone interact. energy: -0.601
local terms energy: -287.239508
where:
bonds (distance) C4'-P energy: -89.527
bonds (distance) P-C4' energy: -74.251
flat angles C4'-P-C4' energy: -63.968
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1748.443558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.443558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.443558 (E_RNA)
where:
Base-Base interactions energy: -1208.381
where: short stacking energy: -508.910
Base-Backbone interact. energy: -1.944
local terms energy: -538.118473
where:
bonds (distance) C4'-P energy: -112.488
bonds (distance) P-C4' energy: -101.509
flat angles C4'-P-C4' energy: -110.198
flat angles P-C4'-P energy: -71.869
tors. eta vs tors. theta energy: -142.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1660.034747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.034747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.034747 (E_RNA)
where:
Base-Base interactions energy: -1124.609
where: short stacking energy: -481.995
Base-Backbone interact. energy: -1.059
local terms energy: -534.366969
where:
bonds (distance) C4'-P energy: -104.474
bonds (distance) P-C4' energy: -98.015
flat angles C4'-P-C4' energy: -111.934
flat angles P-C4'-P energy: -70.351
tors. eta vs tors. theta energy: -149.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1609.117459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.117459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.117459 (E_RNA)
where:
Base-Base interactions energy: -1120.241
where: short stacking energy: -478.084
Base-Backbone interact. energy: 0.009
local terms energy: -488.885791
where:
bonds (distance) C4'-P energy: -100.112
bonds (distance) P-C4' energy: -84.217
flat angles C4'-P-C4' energy: -108.768
flat angles P-C4'-P energy: -62.713
tors. eta vs tors. theta energy: -133.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1479.706482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.706482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.706482 (E_RNA)
where:
Base-Base interactions energy: -1019.001
where: short stacking energy: -427.865
Base-Backbone interact. energy: 2.345
local terms energy: -463.050442
where:
bonds (distance) C4'-P energy: -97.089
bonds (distance) P-C4' energy: -90.044
flat angles C4'-P-C4' energy: -87.310
flat angles P-C4'-P energy: -66.750
tors. eta vs tors. theta energy: -121.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1397.589859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.589859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.589859 (E_RNA)
where:
Base-Base interactions energy: -928.741
where: short stacking energy: -423.551
Base-Backbone interact. energy: -1.226
local terms energy: -467.623191
where:
bonds (distance) C4'-P energy: -95.566
bonds (distance) P-C4' energy: -95.030
flat angles C4'-P-C4' energy: -105.868
flat angles P-C4'-P energy: -53.985
tors. eta vs tors. theta energy: -117.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1242.472129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.472129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.472129 (E_RNA)
where:
Base-Base interactions energy: -820.783
where: short stacking energy: -355.919
Base-Backbone interact. energy: -2.473
local terms energy: -419.215708
where:
bonds (distance) C4'-P energy: -84.093
bonds (distance) P-C4' energy: -93.988
flat angles C4'-P-C4' energy: -88.687
flat angles P-C4'-P energy: -59.314
tors. eta vs tors. theta energy: -93.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1004.156304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.156304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.156304 (E_RNA)
where:
Base-Base interactions energy: -628.485
where: short stacking energy: -286.811
Base-Backbone interact. energy: -0.578
local terms energy: -375.093541
where:
bonds (distance) C4'-P energy: -92.797
bonds (distance) P-C4' energy: -72.986
flat angles C4'-P-C4' energy: -93.588
flat angles P-C4'-P energy: -59.672
tors. eta vs tors. theta energy: -56.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -808.601688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.601688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.601688 (E_RNA)
where:
Base-Base interactions energy: -472.691
where: short stacking energy: -245.776
Base-Backbone interact. energy: 4.715
local terms energy: -340.625782
where:
bonds (distance) C4'-P energy: -69.217
bonds (distance) P-C4' energy: -93.859
flat angles C4'-P-C4' energy: -99.536
flat angles P-C4'-P energy: -51.820
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -816.147771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.147771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.147771 (E_RNA)
where:
Base-Base interactions energy: -480.817
where: short stacking energy: -230.650
Base-Backbone interact. energy: -0.055
local terms energy: -335.275479
where:
bonds (distance) C4'-P energy: -64.825
bonds (distance) P-C4' energy: -97.818
flat angles C4'-P-C4' energy: -96.249
flat angles P-C4'-P energy: -40.200
tors. eta vs tors. theta energy: -36.183
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: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -661.354294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.354294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.354294 (E_RNA)
where:
Base-Base interactions energy: -367.247
where: short stacking energy: -181.506
Base-Backbone interact. energy: -3.427
local terms energy: -290.679992
where:
bonds (distance) C4'-P energy: -70.346
bonds (distance) P-C4' energy: -78.751
flat angles C4'-P-C4' energy: -86.389
flat angles P-C4'-P energy: -54.661
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1744.099875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.099875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.099875 (E_RNA)
where:
Base-Base interactions energy: -1193.705
where: short stacking energy: -493.940
Base-Backbone interact. energy: -1.759
local terms energy: -548.635224
where:
bonds (distance) C4'-P energy: -103.015
bonds (distance) P-C4' energy: -106.768
flat angles C4'-P-C4' energy: -121.813
flat angles P-C4'-P energy: -74.139
tors. eta vs tors. theta energy: -142.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1640.657404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.657404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.657404 (E_RNA)
where:
Base-Base interactions energy: -1107.102
where: short stacking energy: -474.032
Base-Backbone interact. energy: -1.213
local terms energy: -532.342022
where:
bonds (distance) C4'-P energy: -91.523
bonds (distance) P-C4' energy: -104.335
flat angles C4'-P-C4' energy: -110.638
flat angles P-C4'-P energy: -88.984
tors. eta vs tors. theta energy: -136.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1606.443327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.443327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.443327 (E_RNA)
where:
Base-Base interactions energy: -1078.000
where: short stacking energy: -460.963
Base-Backbone interact. energy: 0.735
local terms energy: -529.178336
where:
bonds (distance) C4'-P energy: -98.993
bonds (distance) P-C4' energy: -102.438
flat angles C4'-P-C4' energy: -115.030
flat angles P-C4'-P energy: -84.539
tors. eta vs tors. theta energy: -128.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1457.872656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.872656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.872656 (E_RNA)
where:
Base-Base interactions energy: -1008.557
where: short stacking energy: -429.306
Base-Backbone interact. energy: 1.600
local terms energy: -450.915874
where:
bonds (distance) C4'-P energy: -88.120
bonds (distance) P-C4' energy: -85.862
flat angles C4'-P-C4' energy: -99.845
flat angles P-C4'-P energy: -65.287
tors. eta vs tors. theta energy: -111.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1358.908065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.908065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.908065 (E_RNA)
where:
Base-Base interactions energy: -891.480
where: short stacking energy: -375.656
Base-Backbone interact. energy: -2.250
local terms energy: -465.177919
where:
bonds (distance) C4'-P energy: -95.309
bonds (distance) P-C4' energy: -103.430
flat angles C4'-P-C4' energy: -97.568
flat angles P-C4'-P energy: -55.666
tors. eta vs tors. theta energy: -113.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1260.613008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.613008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.613008 (E_RNA)
where:
Base-Base interactions energy: -844.483
where: short stacking energy: -383.711
Base-Backbone interact. energy: -1.527
local terms energy: -414.602904
where:
bonds (distance) C4'-P energy: -60.882
bonds (distance) P-C4' energy: -95.596
flat angles C4'-P-C4' energy: -93.847
flat angles P-C4'-P energy: -66.201
tors. eta vs tors. theta energy: -98.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1016.412063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.412063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.412063 (E_RNA)
where:
Base-Base interactions energy: -642.557
where: short stacking energy: -276.659
Base-Backbone interact. energy: 3.132
local terms energy: -376.987025
where:
bonds (distance) C4'-P energy: -95.286
bonds (distance) P-C4' energy: -85.075
flat angles C4'-P-C4' energy: -79.064
flat angles P-C4'-P energy: -54.986
tors. eta vs tors. theta energy: -62.575
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: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -806.255254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.255254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.255254 (E_RNA)
where:
Base-Base interactions energy: -479.098
where: short stacking energy: -226.222
Base-Backbone interact. energy: 2.233
local terms energy: -329.390074
where:
bonds (distance) C4'-P energy: -69.568
bonds (distance) P-C4' energy: -96.278
flat angles C4'-P-C4' energy: -88.280
flat angles P-C4'-P energy: -51.040
tors. eta vs tors. theta energy: -24.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -803.125508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.125508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.125508 (E_RNA)
where:
Base-Base interactions energy: -451.087
where: short stacking energy: -201.597
Base-Backbone interact. energy: -1.466
local terms energy: -350.571582
where:
bonds (distance) C4'-P energy: -80.151
bonds (distance) P-C4' energy: -102.292
flat angles C4'-P-C4' energy: -86.481
flat angles P-C4'-P energy: -58.258
tors. eta vs tors. theta energy: -23.390
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: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -632.168921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.168921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.168921 (E_RNA)
where:
Base-Base interactions energy: -328.233
where: short stacking energy: -169.491
Base-Backbone interact. energy: 4.827
local terms energy: -308.762950
where:
bonds (distance) C4'-P energy: -79.312
bonds (distance) P-C4' energy: -83.540
flat angles C4'-P-C4' energy: -77.303
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1751.802297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.802297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.802297 (E_RNA)
where:
Base-Base interactions energy: -1215.304
where: short stacking energy: -526.997
Base-Backbone interact. energy: -2.522
local terms energy: -533.976691
where:
bonds (distance) C4'-P energy: -96.635
bonds (distance) P-C4' energy: -109.197
flat angles C4'-P-C4' energy: -113.108
flat angles P-C4'-P energy: -71.762
tors. eta vs tors. theta energy: -143.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1648.346810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.346810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.346810 (E_RNA)
where:
Base-Base interactions energy: -1116.798
where: short stacking energy: -489.183
Base-Backbone interact. energy: -1.403
local terms energy: -530.145625
where:
bonds (distance) C4'-P energy: -94.818
bonds (distance) P-C4' energy: -101.890
flat angles C4'-P-C4' energy: -113.074
flat angles P-C4'-P energy: -74.760
tors. eta vs tors. theta energy: -145.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1597.626083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.626083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.626083 (E_RNA)
where:
Base-Base interactions energy: -1065.978
where: short stacking energy: -471.373
Base-Backbone interact. energy: -1.864
local terms energy: -529.784004
where:
bonds (distance) C4'-P energy: -98.890
bonds (distance) P-C4' energy: -111.134
flat angles C4'-P-C4' energy: -113.188
flat angles P-C4'-P energy: -69.436
tors. eta vs tors. theta energy: -137.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1455.873590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.873590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.873590 (E_RNA)
where:
Base-Base interactions energy: -979.899
where: short stacking energy: -431.305
Base-Backbone interact. energy: -0.990
local terms energy: -474.984675
where:
bonds (distance) C4'-P energy: -97.323
bonds (distance) P-C4' energy: -88.000
flat angles C4'-P-C4' energy: -103.531
flat angles P-C4'-P energy: -65.294
tors. eta vs tors. theta energy: -120.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1373.389754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.389754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.389754 (E_RNA)
where:
Base-Base interactions energy: -916.272
where: short stacking energy: -392.566
Base-Backbone interact. energy: -0.661
local terms energy: -456.457202
where:
bonds (distance) C4'-P energy: -92.842
bonds (distance) P-C4' energy: -96.382
flat angles C4'-P-C4' energy: -97.645
flat angles P-C4'-P energy: -59.128
tors. eta vs tors. theta energy: -110.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1248.908863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.908863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.908863 (E_RNA)
where:
Base-Base interactions energy: -824.506
where: short stacking energy: -353.866
Base-Backbone interact. energy: -3.892
local terms energy: -420.510570
where:
bonds (distance) C4'-P energy: -93.416
bonds (distance) P-C4' energy: -93.323
flat angles C4'-P-C4' energy: -97.647
flat angles P-C4'-P energy: -55.888
tors. eta vs tors. theta energy: -80.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1053.975376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.975376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.975376 (E_RNA)
where:
Base-Base interactions energy: -663.790
where: short stacking energy: -306.684
Base-Backbone interact. energy: 0.866
local terms energy: -391.051330
where:
bonds (distance) C4'-P energy: -86.962
bonds (distance) P-C4' energy: -91.156
flat angles C4'-P-C4' energy: -90.873
flat angles P-C4'-P energy: -53.325
tors. eta vs tors. theta energy: -68.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -870.641017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.641017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.641017 (E_RNA)
where:
Base-Base interactions energy: -516.837
where: short stacking energy: -233.644
Base-Backbone interact. energy: -5.818
local terms energy: -347.985596
where:
bonds (distance) C4'-P energy: -74.362
bonds (distance) P-C4' energy: -99.443
flat angles C4'-P-C4' energy: -88.494
flat angles P-C4'-P energy: -42.553
tors. eta vs tors. theta energy: -43.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -768.887352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.887352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.887352 (E_RNA)
where:
Base-Base interactions energy: -431.392
where: short stacking energy: -235.949
Base-Backbone interact. energy: 4.873
local terms energy: -342.367653
where:
bonds (distance) C4'-P energy: -78.756
bonds (distance) P-C4' energy: -99.980
flat angles C4'-P-C4' energy: -81.339
flat angles P-C4'-P energy: -46.083
tors. eta vs tors. theta energy: -36.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -630.791066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.791066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.791066 (E_RNA)
where:
Base-Base interactions energy: -338.016
where: short stacking energy: -183.497
Base-Backbone interact. energy: 0.259
local terms energy: -293.034404
where:
bonds (distance) C4'-P energy: -77.336
bonds (distance) P-C4' energy: -97.235
flat angles C4'-P-C4' energy: -84.471
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1729.676349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.676349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.676349 (E_RNA)
where:
Base-Base interactions energy: -1177.752
where: short stacking energy: -496.662
Base-Backbone interact. energy: -3.746
local terms energy: -548.178550
where:
bonds (distance) C4'-P energy: -102.547
bonds (distance) P-C4' energy: -106.848
flat angles C4'-P-C4' energy: -124.963
flat angles P-C4'-P energy: -75.331
tors. eta vs tors. theta energy: -138.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1669.729691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.729691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.729691 (E_RNA)
where:
Base-Base interactions energy: -1125.844
where: short stacking energy: -496.565
Base-Backbone interact. energy: 0.998
local terms energy: -544.883512
where:
bonds (distance) C4'-P energy: -106.084
bonds (distance) P-C4' energy: -98.448
flat angles C4'-P-C4' energy: -115.591
flat angles P-C4'-P energy: -77.106
tors. eta vs tors. theta energy: -147.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1594.644664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.644664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.644664 (E_RNA)
where:
Base-Base interactions energy: -1079.871
where: short stacking energy: -462.394
Base-Backbone interact. energy: 0.481
local terms energy: -515.253821
where:
bonds (distance) C4'-P energy: -90.374
bonds (distance) P-C4' energy: -101.946
flat angles C4'-P-C4' energy: -108.478
flat angles P-C4'-P energy: -74.713
tors. eta vs tors. theta energy: -139.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1439.503354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.503354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.503354 (E_RNA)
where:
Base-Base interactions energy: -960.579
where: short stacking energy: -396.581
Base-Backbone interact. energy: 0.767
local terms energy: -479.690970
where:
bonds (distance) C4'-P energy: -95.137
bonds (distance) P-C4' energy: -96.771
flat angles C4'-P-C4' energy: -100.562
flat angles P-C4'-P energy: -72.974
tors. eta vs tors. theta energy: -114.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1316.545527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.545527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.545527 (E_RNA)
where:
Base-Base interactions energy: -881.401
where: short stacking energy: -363.705
Base-Backbone interact. energy: -0.394
local terms energy: -434.750685
where:
bonds (distance) C4'-P energy: -88.809
bonds (distance) P-C4' energy: -94.796
flat angles C4'-P-C4' energy: -96.119
flat angles P-C4'-P energy: -52.273
tors. eta vs tors. theta energy: -102.753
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: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1262.272591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.272591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.272591 (E_RNA)
where:
Base-Base interactions energy: -830.257
where: short stacking energy: -358.214
Base-Backbone interact. energy: -0.456
local terms energy: -431.559899
where:
bonds (distance) C4'-P energy: -89.923
bonds (distance) P-C4' energy: -91.680
flat angles C4'-P-C4' energy: -97.124
flat angles P-C4'-P energy: -61.349
tors. eta vs tors. theta energy: -91.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -928.436623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.436623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.436623 (E_RNA)
where:
Base-Base interactions energy: -583.669
where: short stacking energy: -244.954
Base-Backbone interact. energy: -2.667
local terms energy: -342.100830
where:
bonds (distance) C4'-P energy: -80.590
bonds (distance) P-C4' energy: -87.339
flat angles C4'-P-C4' energy: -81.972
flat angles P-C4'-P energy: -52.412
tors. eta vs tors. theta energy: -39.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -994.886261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.886261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.886261 (E_RNA)
where:
Base-Base interactions energy: -639.883
where: short stacking energy: -301.201
Base-Backbone interact. energy: 0.042
local terms energy: -355.045732
where:
bonds (distance) C4'-P energy: -69.151
bonds (distance) P-C4' energy: -88.749
flat angles C4'-P-C4' energy: -91.416
flat angles P-C4'-P energy: -50.336
tors. eta vs tors. theta energy: -55.394
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: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -750.367345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.367345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.367345 (E_RNA)
where:
Base-Base interactions energy: -446.084
where: short stacking energy: -221.337
Base-Backbone interact. energy: -0.596
local terms energy: -303.687355
where:
bonds (distance) C4'-P energy: -79.444
bonds (distance) P-C4' energy: -91.336
flat angles C4'-P-C4' energy: -78.973
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -23.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -612.012857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.012857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.012857 (E_RNA)
where:
Base-Base interactions energy: -332.279
where: short stacking energy: -164.413
Base-Backbone interact. energy: -0.731
local terms energy: -279.002754
where:
bonds (distance) C4'-P energy: -75.763
bonds (distance) P-C4' energy: -80.940
flat angles C4'-P-C4' energy: -69.589
flat angles P-C4'-P energy: -51.061
tors. eta vs tors. theta energy: -1.649
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: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1745.468958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.468958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.468958 (E_RNA)
where:
Base-Base interactions energy: -1178.146
where: short stacking energy: -500.938
Base-Backbone interact. energy: -2.347
local terms energy: -564.975387
where:
bonds (distance) C4'-P energy: -105.535
bonds (distance) P-C4' energy: -109.928
flat angles C4'-P-C4' energy: -119.629
flat angles P-C4'-P energy: -81.206
tors. eta vs tors. theta energy: -148.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1664.680748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.680748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.680748 (E_RNA)
where:
Base-Base interactions energy: -1106.693
where: short stacking energy: -498.743
Base-Backbone interact. energy: -1.454
local terms energy: -556.533517
where:
bonds (distance) C4'-P energy: -105.011
bonds (distance) P-C4' energy: -98.759
flat angles C4'-P-C4' energy: -115.652
flat angles P-C4'-P energy: -84.336
tors. eta vs tors. theta energy: -152.776
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: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1623.484096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.484096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.484096 (E_RNA)
where:
Base-Base interactions energy: -1084.965
where: short stacking energy: -476.698
Base-Backbone interact. energy: -2.174
local terms energy: -536.345040
where:
bonds (distance) C4'-P energy: -102.027
bonds (distance) P-C4' energy: -102.064
flat angles C4'-P-C4' energy: -113.731
flat angles P-C4'-P energy: -75.297
tors. eta vs tors. theta energy: -143.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1438.038482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.038482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.038482 (E_RNA)
where:
Base-Base interactions energy: -984.001
where: short stacking energy: -407.576
Base-Backbone interact. energy: 3.439
local terms energy: -457.476661
where:
bonds (distance) C4'-P energy: -93.959
bonds (distance) P-C4' energy: -103.944
flat angles C4'-P-C4' energy: -103.949
flat angles P-C4'-P energy: -48.688
tors. eta vs tors. theta energy: -106.936
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: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1346.806162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.806162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.806162 (E_RNA)
where:
Base-Base interactions energy: -903.485
where: short stacking energy: -392.921
Base-Backbone interact. energy: -4.246
local terms energy: -439.075143
where:
bonds (distance) C4'-P energy: -91.008
bonds (distance) P-C4' energy: -98.022
flat angles C4'-P-C4' energy: -97.033
flat angles P-C4'-P energy: -44.865
tors. eta vs tors. theta energy: -108.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1283.625559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.625559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.625559 (E_RNA)
where:
Base-Base interactions energy: -840.294
where: short stacking energy: -376.653
Base-Backbone interact. energy: -0.414
local terms energy: -442.918383
where:
bonds (distance) C4'-P energy: -89.658
bonds (distance) P-C4' energy: -85.155
flat angles C4'-P-C4' energy: -97.989
flat angles P-C4'-P energy: -60.905
tors. eta vs tors. theta energy: -109.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -963.684202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.684202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.684202 (E_RNA)
where:
Base-Base interactions energy: -579.424
where: short stacking energy: -304.038
Base-Backbone interact. energy: -1.952
local terms energy: -382.307706
where:
bonds (distance) C4'-P energy: -90.550
bonds (distance) P-C4' energy: -102.705
flat angles C4'-P-C4' energy: -89.377
flat angles P-C4'-P energy: -45.654
tors. eta vs tors. theta energy: -54.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -996.703279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.703279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.703279 (E_RNA)
where:
Base-Base interactions energy: -649.025
where: short stacking energy: -296.507
Base-Backbone interact. energy: 13.889
local terms energy: -361.566820
where:
bonds (distance) C4'-P energy: -83.642
bonds (distance) P-C4' energy: -78.660
flat angles C4'-P-C4' energy: -97.163
flat angles P-C4'-P energy: -39.011
tors. eta vs tors. theta energy: -63.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -848.849684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.849684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.849684 (E_RNA)
where:
Base-Base interactions energy: -484.199
where: short stacking energy: -235.998
Base-Backbone interact. energy: -0.879
local terms energy: -363.771129
where:
bonds (distance) C4'-P energy: -78.538
bonds (distance) P-C4' energy: -98.297
flat angles C4'-P-C4' energy: -80.838
flat angles P-C4'-P energy: -57.924
tors. eta vs tors. theta energy: -48.173
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: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -661.630221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.630221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.630221 (E_RNA)
where:
Base-Base interactions energy: -354.540
where: short stacking energy: -198.686
Base-Backbone interact. energy: 0.256
local terms energy: -307.346458
where:
bonds (distance) C4'-P energy: -90.680
bonds (distance) P-C4' energy: -76.599
flat angles C4'-P-C4' energy: -72.675
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -30.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1706.180589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.180589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.180589 (E_RNA)
where:
Base-Base interactions energy: -1167.023
where: short stacking energy: -487.227
Base-Backbone interact. energy: -1.101
local terms energy: -538.056925
where:
bonds (distance) C4'-P energy: -95.490
bonds (distance) P-C4' energy: -105.684
flat angles C4'-P-C4' energy: -114.342
flat angles P-C4'-P energy: -82.760
tors. eta vs tors. theta energy: -139.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1660.340460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.340460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.340460 (E_RNA)
where:
Base-Base interactions energy: -1117.524
where: short stacking energy: -498.735
Base-Backbone interact. energy: -2.354
local terms energy: -540.463302
where:
bonds (distance) C4'-P energy: -104.617
bonds (distance) P-C4' energy: -88.168
flat angles C4'-P-C4' energy: -119.299
flat angles P-C4'-P energy: -74.602
tors. eta vs tors. theta energy: -153.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1571.714549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.714549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.714549 (E_RNA)
where:
Base-Base interactions energy: -1058.842
where: short stacking energy: -459.345
Base-Backbone interact. energy: -1.554
local terms energy: -511.319030
where:
bonds (distance) C4'-P energy: -74.888
bonds (distance) P-C4' energy: -97.649
flat angles C4'-P-C4' energy: -108.148
flat angles P-C4'-P energy: -83.787
tors. eta vs tors. theta energy: -146.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1468.344134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.344134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.344134 (E_RNA)
where:
Base-Base interactions energy: -1001.155
where: short stacking energy: -421.853
Base-Backbone interact. energy: 2.774
local terms energy: -469.963144
where:
bonds (distance) C4'-P energy: -95.732
bonds (distance) P-C4' energy: -96.714
flat angles C4'-P-C4' energy: -100.111
flat angles P-C4'-P energy: -63.133
tors. eta vs tors. theta energy: -114.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1303.062237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.062237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.062237 (E_RNA)
where:
Base-Base interactions energy: -839.361
where: short stacking energy: -390.377
Base-Backbone interact. energy: -1.069
local terms energy: -462.632159
where:
bonds (distance) C4'-P energy: -92.152
bonds (distance) P-C4' energy: -98.893
flat angles C4'-P-C4' energy: -107.033
flat angles P-C4'-P energy: -63.237
tors. eta vs tors. theta energy: -101.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1287.668017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.668017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.668017 (E_RNA)
where:
Base-Base interactions energy: -852.028
where: short stacking energy: -354.743
Base-Backbone interact. energy: -1.146
local terms energy: -434.494095
where:
bonds (distance) C4'-P energy: -93.672
bonds (distance) P-C4' energy: -97.589
flat angles C4'-P-C4' energy: -98.802
flat angles P-C4'-P energy: -43.834
tors. eta vs tors. theta energy: -100.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1020.707934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.707934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.707934 (E_RNA)
where:
Base-Base interactions energy: -642.184
where: short stacking energy: -285.038
Base-Backbone interact. energy: -1.186
local terms energy: -377.338579
where:
bonds (distance) C4'-P energy: -76.478
bonds (distance) P-C4' energy: -100.765
flat angles C4'-P-C4' energy: -85.222
flat angles P-C4'-P energy: -54.363
tors. eta vs tors. theta energy: -60.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -853.164151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.164151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.164151 (E_RNA)
where:
Base-Base interactions energy: -510.839
where: short stacking energy: -244.825
Base-Backbone interact. energy: 1.766
local terms energy: -345.829032
where:
bonds (distance) C4'-P energy: -79.243
bonds (distance) P-C4' energy: -96.155
flat angles C4'-P-C4' energy: -83.049
flat angles P-C4'-P energy: -50.352
tors. eta vs tors. theta energy: -37.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.737 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -799.152955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.152955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.152955 (E_RNA)
where:
Base-Base interactions energy: -474.302
where: short stacking energy: -231.366
Base-Backbone interact. energy: 0.472
local terms energy: -325.322521
where:
bonds (distance) C4'-P energy: -78.686
bonds (distance) P-C4' energy: -81.418
flat angles C4'-P-C4' energy: -87.745
flat angles P-C4'-P energy: -52.352
tors. eta vs tors. theta energy: -25.121
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: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -650.946482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.946482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.946482 (E_RNA)
where:
Base-Base interactions energy: -353.748
where: short stacking energy: -185.646
Base-Backbone interact. energy: -2.815
local terms energy: -294.384210
where:
bonds (distance) C4'-P energy: -73.646
bonds (distance) P-C4' energy: -96.746
flat angles C4'-P-C4' energy: -65.099
flat angles P-C4'-P energy: -45.254
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: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1727.538731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.538731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.538731 (E_RNA)
where:
Base-Base interactions energy: -1192.835
where: short stacking energy: -487.517
Base-Backbone interact. energy: -2.299
local terms energy: -532.405630
where:
bonds (distance) C4'-P energy: -100.641
bonds (distance) P-C4' energy: -104.528
flat angles C4'-P-C4' energy: -112.253
flat angles P-C4'-P energy: -76.864
tors. eta vs tors. theta energy: -138.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1671.094560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.094560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.094560 (E_RNA)
where:
Base-Base interactions energy: -1127.602
where: short stacking energy: -496.542
Base-Backbone interact. energy: 1.231
local terms energy: -544.723298
where:
bonds (distance) C4'-P energy: -102.793
bonds (distance) P-C4' energy: -99.552
flat angles C4'-P-C4' energy: -114.050
flat angles P-C4'-P energy: -77.814
tors. eta vs tors. theta energy: -150.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1577.169369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.169369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.169369 (E_RNA)
where:
Base-Base interactions energy: -1056.240
where: short stacking energy: -464.413
Base-Backbone interact. energy: -1.684
local terms energy: -519.245283
where:
bonds (distance) C4'-P energy: -102.473
bonds (distance) P-C4' energy: -98.585
flat angles C4'-P-C4' energy: -108.709
flat angles P-C4'-P energy: -78.954
tors. eta vs tors. theta energy: -130.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1498.931601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.931601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.931601 (E_RNA)
where:
Base-Base interactions energy: -1011.058
where: short stacking energy: -409.446
Base-Backbone interact. energy: 2.657
local terms energy: -490.530077
where:
bonds (distance) C4'-P energy: -89.453
bonds (distance) P-C4' energy: -96.152
flat angles C4'-P-C4' energy: -117.757
flat angles P-C4'-P energy: -69.305
tors. eta vs tors. theta energy: -117.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1350.074092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.074092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.074092 (E_RNA)
where:
Base-Base interactions energy: -872.806
where: short stacking energy: -398.781
Base-Backbone interact. energy: -5.026
local terms energy: -472.242102
where:
bonds (distance) C4'-P energy: -94.980
bonds (distance) P-C4' energy: -99.780
flat angles C4'-P-C4' energy: -96.652
flat angles P-C4'-P energy: -71.169
tors. eta vs tors. theta energy: -109.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1236.070361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.070361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.070361 (E_RNA)
where:
Base-Base interactions energy: -803.989
where: short stacking energy: -368.162
Base-Backbone interact. energy: 0.745
local terms energy: -432.825695
where:
bonds (distance) C4'-P energy: -100.441
bonds (distance) P-C4' energy: -93.059
flat angles C4'-P-C4' energy: -100.399
flat angles P-C4'-P energy: -56.278
tors. eta vs tors. theta energy: -82.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1011.625527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.625527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.625527 (E_RNA)
where:
Base-Base interactions energy: -634.412
where: short stacking energy: -286.367
Base-Backbone interact. energy: -0.738
local terms energy: -376.474832
where:
bonds (distance) C4'-P energy: -92.863
bonds (distance) P-C4' energy: -81.648
flat angles C4'-P-C4' energy: -87.571
flat angles P-C4'-P energy: -58.496
tors. eta vs tors. theta energy: -55.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -914.927452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.927452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.927452 (E_RNA)
where:
Base-Base interactions energy: -574.159
where: short stacking energy: -257.542
Base-Backbone interact. energy: 2.365
local terms energy: -343.133755
where:
bonds (distance) C4'-P energy: -69.314
bonds (distance) P-C4' energy: -107.911
flat angles C4'-P-C4' energy: -74.537
flat angles P-C4'-P energy: -49.769
tors. eta vs tors. theta energy: -41.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -797.821044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.821044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.821044 (E_RNA)
where:
Base-Base interactions energy: -476.804
where: short stacking energy: -220.607
Base-Backbone interact. energy: -0.356
local terms energy: -320.661220
where:
bonds (distance) C4'-P energy: -79.614
bonds (distance) P-C4' energy: -86.824
flat angles C4'-P-C4' energy: -65.136
flat angles P-C4'-P energy: -47.046
tors. eta vs tors. theta energy: -42.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -639.204654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.204654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.204654 (E_RNA)
where:
Base-Base interactions energy: -361.473
where: short stacking energy: -180.760
Base-Backbone interact. energy: 0.489
local terms energy: -278.221154
where:
bonds (distance) C4'-P energy: -70.024
bonds (distance) P-C4' energy: -84.627
flat angles C4'-P-C4' energy: -78.340
flat angles P-C4'-P energy: -46.913
tors. eta vs tors. theta energy: 1.683
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: 1, replica: 10
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1731.740612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.740612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.740612 (E_RNA)
where:
Base-Base interactions energy: -1185.719
where: short stacking energy: -499.967
Base-Backbone interact. energy: -1.341
local terms energy: -544.679930
where:
bonds (distance) C4'-P energy: -96.667
bonds (distance) P-C4' energy: -106.319
flat angles C4'-P-C4' energy: -107.630
flat angles P-C4'-P energy: -83.545
tors. eta vs tors. theta energy: -150.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1661.141046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.141046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.141046 (E_RNA)
where:
Base-Base interactions energy: -1111.802
where: short stacking energy: -501.916
Base-Backbone interact. energy: -1.833
local terms energy: -547.505974
where:
bonds (distance) C4'-P energy: -98.505
bonds (distance) P-C4' energy: -109.616
flat angles C4'-P-C4' energy: -109.853
flat angles P-C4'-P energy: -82.683
tors. eta vs tors. theta energy: -146.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1631.918444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.918444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.918444 (E_RNA)
where:
Base-Base interactions energy: -1107.464
where: short stacking energy: -495.039
Base-Backbone interact. energy: -1.777
local terms energy: -522.677647
where:
bonds (distance) C4'-P energy: -102.662
bonds (distance) P-C4' energy: -88.813
flat angles C4'-P-C4' energy: -116.164
flat angles P-C4'-P energy: -77.444
tors. eta vs tors. theta energy: -137.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1517.845500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.845500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.845500 (E_RNA)
where:
Base-Base interactions energy: -1040.335
where: short stacking energy: -447.097
Base-Backbone interact. energy: 3.116
local terms energy: -480.626683
where:
bonds (distance) C4'-P energy: -81.136
bonds (distance) P-C4' energy: -95.529
flat angles C4'-P-C4' energy: -108.224
flat angles P-C4'-P energy: -67.813
tors. eta vs tors. theta energy: -127.925
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: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1337.568221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.568221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.568221 (E_RNA)
where:
Base-Base interactions energy: -877.677
where: short stacking energy: -397.694
Base-Backbone interact. energy: 1.347
local terms energy: -461.237775
where:
bonds (distance) C4'-P energy: -85.398
bonds (distance) P-C4' energy: -98.633
flat angles C4'-P-C4' energy: -107.929
flat angles P-C4'-P energy: -68.411
tors. eta vs tors. theta energy: -100.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1270.569162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.569162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.569162 (E_RNA)
where:
Base-Base interactions energy: -840.973
where: short stacking energy: -388.867
Base-Backbone interact. energy: -1.127
local terms energy: -428.469632
where:
bonds (distance) C4'-P energy: -73.182
bonds (distance) P-C4' energy: -97.193
flat angles C4'-P-C4' energy: -98.206
flat angles P-C4'-P energy: -58.044
tors. eta vs tors. theta energy: -101.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1005.802419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.802419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.802419 (E_RNA)
where:
Base-Base interactions energy: -634.654
where: short stacking energy: -283.602
Base-Backbone interact. energy: -0.530
local terms energy: -370.618066
where:
bonds (distance) C4'-P energy: -85.056
bonds (distance) P-C4' energy: -102.885
flat angles C4'-P-C4' energy: -75.121
flat angles P-C4'-P energy: -52.167
tors. eta vs tors. theta energy: -55.390
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: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1037.071877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.071877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.071877 (E_RNA)
where:
Base-Base interactions energy: -661.240
where: short stacking energy: -300.487
Base-Backbone interact. energy: -0.884
local terms energy: -374.947906
where:
bonds (distance) C4'-P energy: -72.988
bonds (distance) P-C4' energy: -83.580
flat angles C4'-P-C4' energy: -94.891
flat angles P-C4'-P energy: -58.860
tors. eta vs tors. theta energy: -64.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -831.779376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.779376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.779376 (E_RNA)
where:
Base-Base interactions energy: -474.547
where: short stacking energy: -240.214
Base-Backbone interact. energy: -0.188
local terms energy: -357.044542
where:
bonds (distance) C4'-P energy: -77.272
bonds (distance) P-C4' energy: -101.991
flat angles C4'-P-C4' energy: -87.205
flat angles P-C4'-P energy: -54.790
tors. eta vs tors. theta energy: -35.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -645.226679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.226679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.226679 (E_RNA)
where:
Base-Base interactions energy: -352.197
where: short stacking energy: -191.638
Base-Backbone interact. energy: -0.340
local terms energy: -292.689106
where:
bonds (distance) C4'-P energy: -74.185
bonds (distance) P-C4' energy: -80.722
flat angles C4'-P-C4' energy: -68.197
flat angles P-C4'-P energy: -54.052
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1724.460951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.460951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.460951 (E_RNA)
where:
Base-Base interactions energy: -1193.056
where: short stacking energy: -503.604
Base-Backbone interact. energy: -0.473
local terms energy: -530.931803
where:
bonds (distance) C4'-P energy: -102.551
bonds (distance) P-C4' energy: -112.013
flat angles C4'-P-C4' energy: -108.520
flat angles P-C4'-P energy: -69.994
tors. eta vs tors. theta energy: -137.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1668.865771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.865771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.865771 (E_RNA)
where:
Base-Base interactions energy: -1143.936
where: short stacking energy: -498.160
Base-Backbone interact. energy: 0.220
local terms energy: -525.149668
where:
bonds (distance) C4'-P energy: -95.143
bonds (distance) P-C4' energy: -109.187
flat angles C4'-P-C4' energy: -106.687
flat angles P-C4'-P energy: -68.557
tors. eta vs tors. theta energy: -145.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1621.567614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.567614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.567614 (E_RNA)
where:
Base-Base interactions energy: -1126.164
where: short stacking energy: -502.507
Base-Backbone interact. energy: -0.487
local terms energy: -494.916683
where:
bonds (distance) C4'-P energy: -77.763
bonds (distance) P-C4' energy: -86.304
flat angles C4'-P-C4' energy: -111.400
flat angles P-C4'-P energy: -69.430
tors. eta vs tors. theta energy: -150.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1491.455900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.455900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.455900 (E_RNA)
where:
Base-Base interactions energy: -987.331
where: short stacking energy: -444.232
Base-Backbone interact. energy: -1.328
local terms energy: -502.796475
where:
bonds (distance) C4'-P energy: -99.297
bonds (distance) P-C4' energy: -95.411
flat angles C4'-P-C4' energy: -110.063
flat angles P-C4'-P energy: -60.482
tors. eta vs tors. theta energy: -137.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1308.593966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.593966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.593966 (E_RNA)
where:
Base-Base interactions energy: -851.704
where: short stacking energy: -366.554
Base-Backbone interact. energy: -1.516
local terms energy: -455.373213
where:
bonds (distance) C4'-P energy: -87.666
bonds (distance) P-C4' energy: -100.259
flat angles C4'-P-C4' energy: -98.316
flat angles P-C4'-P energy: -72.035
tors. eta vs tors. theta energy: -97.097
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: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1289.954687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.954687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.954687 (E_RNA)
where:
Base-Base interactions energy: -828.291
where: short stacking energy: -361.869
Base-Backbone interact. energy: -1.472
local terms energy: -460.191657
where:
bonds (distance) C4'-P energy: -86.688
bonds (distance) P-C4' energy: -89.347
flat angles C4'-P-C4' energy: -95.402
flat angles P-C4'-P energy: -76.654
tors. eta vs tors. theta energy: -112.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -951.060786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.060786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.060786 (E_RNA)
where:
Base-Base interactions energy: -597.380
where: short stacking energy: -272.985
Base-Backbone interact. energy: -2.109
local terms energy: -351.571986
where:
bonds (distance) C4'-P energy: -74.831
bonds (distance) P-C4' energy: -86.058
flat angles C4'-P-C4' energy: -79.364
flat angles P-C4'-P energy: -62.041
tors. eta vs tors. theta energy: -49.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1013.303219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.303219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.303219 (E_RNA)
where:
Base-Base interactions energy: -626.819
where: short stacking energy: -289.032
Base-Backbone interact. energy: -2.925
local terms energy: -383.558689
where:
bonds (distance) C4'-P energy: -77.589
bonds (distance) P-C4' energy: -86.524
flat angles C4'-P-C4' energy: -99.775
flat angles P-C4'-P energy: -62.163
tors. eta vs tors. theta energy: -57.507
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: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -814.980113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.980113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.980113 (E_RNA)
where:
Base-Base interactions energy: -500.252
where: short stacking energy: -253.402
Base-Backbone interact. energy: 3.417
local terms energy: -318.144683
where:
bonds (distance) C4'-P energy: -63.138
bonds (distance) P-C4' energy: -89.768
flat angles C4'-P-C4' energy: -78.480
flat angles P-C4'-P energy: -42.519
tors. eta vs tors. theta energy: -44.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -680.351983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.351983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.351983 (E_RNA)
where:
Base-Base interactions energy: -375.948
where: short stacking energy: -217.819
Base-Backbone interact. energy: 1.309
local terms energy: -305.713499
where:
bonds (distance) C4'-P energy: -71.577
bonds (distance) P-C4' energy: -76.703
flat angles C4'-P-C4' energy: -87.001
flat angles P-C4'-P energy: -43.675
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1746.311617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.311617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.311617 (E_RNA)
where:
Base-Base interactions energy: -1200.013
where: short stacking energy: -536.747
Base-Backbone interact. energy: -1.077
local terms energy: -545.222098
where:
bonds (distance) C4'-P energy: -98.227
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -114.480
flat angles P-C4'-P energy: -76.026
tors. eta vs tors. theta energy: -167.471
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: 2, replica: 10
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1693.739202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.739202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.739202 (E_RNA)
where:
Base-Base interactions energy: -1153.395
where: short stacking energy: -482.630
Base-Backbone interact. energy: -1.271
local terms energy: -539.073752
where:
bonds (distance) C4'-P energy: -102.174
bonds (distance) P-C4' energy: -107.207
flat angles C4'-P-C4' energy: -119.985
flat angles P-C4'-P energy: -68.358
tors. eta vs tors. theta energy: -141.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1620.413906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.413906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.413906 (E_RNA)
where:
Base-Base interactions energy: -1122.257
where: short stacking energy: -496.965
Base-Backbone interact. energy: -1.851
local terms energy: -496.305614
where:
bonds (distance) C4'-P energy: -93.162
bonds (distance) P-C4' energy: -90.621
flat angles C4'-P-C4' energy: -108.734
flat angles P-C4'-P energy: -57.128
tors. eta vs tors. theta energy: -146.660
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: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1505.648103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.648103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.648103 (E_RNA)
where:
Base-Base interactions energy: -1021.359
where: short stacking energy: -438.355
Base-Backbone interact. energy: 1.081
local terms energy: -485.369691
where:
bonds (distance) C4'-P energy: -93.782
bonds (distance) P-C4' energy: -95.041
flat angles C4'-P-C4' energy: -109.492
flat angles P-C4'-P energy: -62.930
tors. eta vs tors. theta energy: -124.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1361.493644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.493644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.493644 (E_RNA)
where:
Base-Base interactions energy: -914.007
where: short stacking energy: -404.165
Base-Backbone interact. energy: -2.097
local terms energy: -445.388994
where:
bonds (distance) C4'-P energy: -88.365
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -93.655
flat angles P-C4'-P energy: -60.518
tors. eta vs tors. theta energy: -107.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1237.565976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.565976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.565976 (E_RNA)
where:
Base-Base interactions energy: -801.595
where: short stacking energy: -362.481
Base-Backbone interact. energy: -1.512
local terms energy: -434.459608
where:
bonds (distance) C4'-P energy: -73.492
bonds (distance) P-C4' energy: -98.000
flat angles C4'-P-C4' energy: -93.921
flat angles P-C4'-P energy: -71.068
tors. eta vs tors. theta energy: -97.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -969.126791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.126791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.126791 (E_RNA)
where:
Base-Base interactions energy: -600.980
where: short stacking energy: -276.826
Base-Backbone interact. energy: -1.307
local terms energy: -366.839348
where:
bonds (distance) C4'-P energy: -75.913
bonds (distance) P-C4' energy: -88.920
flat angles C4'-P-C4' energy: -85.588
flat angles P-C4'-P energy: -64.245
tors. eta vs tors. theta energy: -52.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1005.855117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.855117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.855117 (E_RNA)
where:
Base-Base interactions energy: -652.338
where: short stacking energy: -300.048
Base-Backbone interact. energy: 0.738
local terms energy: -354.254487
where:
bonds (distance) C4'-P energy: -87.767
bonds (distance) P-C4' energy: -80.214
flat angles C4'-P-C4' energy: -79.889
flat angles P-C4'-P energy: -48.795
tors. eta vs tors. theta energy: -57.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -794.607725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.607725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.607725 (E_RNA)
where:
Base-Base interactions energy: -454.964
where: short stacking energy: -239.570
Base-Backbone interact. energy: 0.105
local terms energy: -339.748383
where:
bonds (distance) C4'-P energy: -65.435
bonds (distance) P-C4' energy: -97.265
flat angles C4'-P-C4' energy: -79.019
flat angles P-C4'-P energy: -54.961
tors. eta vs tors. theta energy: -43.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -645.463798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.463798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.463798 (E_RNA)
where:
Base-Base interactions energy: -367.100
where: short stacking energy: -198.375
Base-Backbone interact. energy: -1.999
local terms energy: -276.365043
where:
bonds (distance) C4'-P energy: -81.393
bonds (distance) P-C4' energy: -86.520
flat angles C4'-P-C4' energy: -62.969
flat angles P-C4'-P energy: -28.880
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1732.733998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.733998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.733998 (E_RNA)
where:
Base-Base interactions energy: -1186.294
where: short stacking energy: -535.199
Base-Backbone interact. energy: 1.303
local terms energy: -547.742796
where:
bonds (distance) C4'-P energy: -94.267
bonds (distance) P-C4' energy: -108.874
flat angles C4'-P-C4' energy: -113.780
flat angles P-C4'-P energy: -74.843
tors. eta vs tors. theta energy: -155.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1671.020349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.020349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.020349 (E_RNA)
where:
Base-Base interactions energy: -1163.167
where: short stacking energy: -492.561
Base-Backbone interact. energy: -1.010
local terms energy: -506.844109
where:
bonds (distance) C4'-P energy: -98.781
bonds (distance) P-C4' energy: -100.400
flat angles C4'-P-C4' energy: -115.125
flat angles P-C4'-P energy: -61.631
tors. eta vs tors. theta energy: -130.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1608.587765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.587765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.587765 (E_RNA)
where:
Base-Base interactions energy: -1097.716
where: short stacking energy: -490.519
Base-Backbone interact. energy: -0.566
local terms energy: -510.306152
where:
bonds (distance) C4'-P energy: -91.855
bonds (distance) P-C4' energy: -98.638
flat angles C4'-P-C4' energy: -111.931
flat angles P-C4'-P energy: -69.691
tors. eta vs tors. theta energy: -138.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1495.772068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.772068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.772068 (E_RNA)
where:
Base-Base interactions energy: -1041.659
where: short stacking energy: -430.492
Base-Backbone interact. energy: -0.234
local terms energy: -453.878761
where:
bonds (distance) C4'-P energy: -84.414
bonds (distance) P-C4' energy: -84.414
flat angles C4'-P-C4' energy: -95.102
flat angles P-C4'-P energy: -70.417
tors. eta vs tors. theta energy: -119.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1378.647434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.647434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.647434 (E_RNA)
where:
Base-Base interactions energy: -922.684
where: short stacking energy: -404.772
Base-Backbone interact. energy: 0.192
local terms energy: -456.155287
where:
bonds (distance) C4'-P energy: -87.676
bonds (distance) P-C4' energy: -77.579
flat angles C4'-P-C4' energy: -95.514
flat angles P-C4'-P energy: -71.008
tors. eta vs tors. theta energy: -124.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1262.906268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.906268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.906268 (E_RNA)
where:
Base-Base interactions energy: -814.719
where: short stacking energy: -366.011
Base-Backbone interact. energy: 4.080
local terms energy: -452.266324
where:
bonds (distance) C4'-P energy: -87.303
bonds (distance) P-C4' energy: -92.759
flat angles C4'-P-C4' energy: -96.687
flat angles P-C4'-P energy: -79.134
tors. eta vs tors. theta energy: -96.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -954.424072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.424072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.424072 (E_RNA)
where:
Base-Base interactions energy: -604.631
where: short stacking energy: -285.028
Base-Backbone interact. energy: 2.043
local terms energy: -351.835487
where:
bonds (distance) C4'-P energy: -69.898
bonds (distance) P-C4' energy: -92.398
flat angles C4'-P-C4' energy: -78.069
flat angles P-C4'-P energy: -64.602
tors. eta vs tors. theta energy: -46.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1024.440307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.440307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.440307 (E_RNA)
where:
Base-Base interactions energy: -641.995
where: short stacking energy: -289.682
Base-Backbone interact. energy: -0.558
local terms energy: -381.887517
where:
bonds (distance) C4'-P energy: -98.303
bonds (distance) P-C4' energy: -85.923
flat angles C4'-P-C4' energy: -79.030
flat angles P-C4'-P energy: -62.175
tors. eta vs tors. theta energy: -56.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -705.636012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.636012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.636012 (E_RNA)
where:
Base-Base interactions energy: -396.849
where: short stacking energy: -194.368
Base-Backbone interact. energy: 4.521
local terms energy: -313.307977
where:
bonds (distance) C4'-P energy: -85.507
bonds (distance) P-C4' energy: -103.850
flat angles C4'-P-C4' energy: -67.389
flat angles P-C4'-P energy: -44.017
tors. eta vs tors. theta energy: -12.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -653.086318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.086318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.086318 (E_RNA)
where:
Base-Base interactions energy: -367.960
where: short stacking energy: -186.697
Base-Backbone interact. energy: -1.273
local terms energy: -283.854017
where:
bonds (distance) C4'-P energy: -78.098
bonds (distance) P-C4' energy: -75.831
flat angles C4'-P-C4' energy: -77.255
flat angles P-C4'-P energy: -41.055
tors. eta vs tors. theta energy: -11.615
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: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1749.328781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.328781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.328781 (E_RNA)
where:
Base-Base interactions energy: -1180.754
where: short stacking energy: -501.510
Base-Backbone interact. energy: -0.869
local terms energy: -567.706114
where:
bonds (distance) C4'-P energy: -104.430
bonds (distance) P-C4' energy: -101.980
flat angles C4'-P-C4' energy: -130.725
flat angles P-C4'-P energy: -67.620
tors. eta vs tors. theta energy: -162.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1684.466506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.466506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.466506 (E_RNA)
where:
Base-Base interactions energy: -1197.217
where: short stacking energy: -488.611
Base-Backbone interact. energy: 0.535
local terms energy: -487.784229
where:
bonds (distance) C4'-P energy: -93.115
bonds (distance) P-C4' energy: -90.620
flat angles C4'-P-C4' energy: -109.099
flat angles P-C4'-P energy: -59.673
tors. eta vs tors. theta energy: -135.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1581.745908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.745908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.745908 (E_RNA)
where:
Base-Base interactions energy: -1056.200
where: short stacking energy: -455.985
Base-Backbone interact. energy: -0.935
local terms energy: -524.611325
where:
bonds (distance) C4'-P energy: -98.621
bonds (distance) P-C4' energy: -101.823
flat angles C4'-P-C4' energy: -114.635
flat angles P-C4'-P energy: -72.357
tors. eta vs tors. theta energy: -137.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1475.168904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.168904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.168904 (E_RNA)
where:
Base-Base interactions energy: -996.596
where: short stacking energy: -436.832
Base-Backbone interact. energy: -3.606
local terms energy: -474.966542
where:
bonds (distance) C4'-P energy: -92.877
bonds (distance) P-C4' energy: -92.203
flat angles C4'-P-C4' energy: -99.673
flat angles P-C4'-P energy: -74.689
tors. eta vs tors. theta energy: -115.525
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: 5, replica: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1356.140319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.140319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.140319 (E_RNA)
where:
Base-Base interactions energy: -920.445
where: short stacking energy: -402.394
Base-Backbone interact. energy: 0.202
local terms energy: -435.897240
where:
bonds (distance) C4'-P energy: -81.933
bonds (distance) P-C4' energy: -87.753
flat angles C4'-P-C4' energy: -96.272
flat angles P-C4'-P energy: -68.518
tors. eta vs tors. theta energy: -101.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1243.391912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.391912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.391912 (E_RNA)
where:
Base-Base interactions energy: -798.709
where: short stacking energy: -360.109
Base-Backbone interact. energy: -0.251
local terms energy: -444.432111
where:
bonds (distance) C4'-P energy: -78.775
bonds (distance) P-C4' energy: -99.276
flat angles C4'-P-C4' energy: -104.230
flat angles P-C4'-P energy: -60.298
tors. eta vs tors. theta energy: -101.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1016.663343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.663343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.663343 (E_RNA)
where:
Base-Base interactions energy: -632.661
where: short stacking energy: -284.220
Base-Backbone interact. energy: 1.372
local terms energy: -385.374153
where:
bonds (distance) C4'-P energy: -77.930
bonds (distance) P-C4' energy: -101.873
flat angles C4'-P-C4' energy: -96.016
flat angles P-C4'-P energy: -54.692
tors. eta vs tors. theta energy: -54.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -882.729279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.729279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.729279 (E_RNA)
where:
Base-Base interactions energy: -520.513
where: short stacking energy: -250.460
Base-Backbone interact. energy: -3.175
local terms energy: -359.040873
where:
bonds (distance) C4'-P energy: -64.109
bonds (distance) P-C4' energy: -101.384
flat angles C4'-P-C4' energy: -88.454
flat angles P-C4'-P energy: -54.781
tors. eta vs tors. theta energy: -50.313
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: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -710.423931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.423931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.423931 (E_RNA)
where:
Base-Base interactions energy: -400.281
where: short stacking energy: -173.706
Base-Backbone interact. energy: -0.007
local terms energy: -310.135617
where:
bonds (distance) C4'-P energy: -80.279
bonds (distance) P-C4' energy: -97.342
flat angles C4'-P-C4' energy: -71.649
flat angles P-C4'-P energy: -44.050
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -625.447729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.447729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.447729 (E_RNA)
where:
Base-Base interactions energy: -335.958
where: short stacking energy: -179.723
Base-Backbone interact. energy: -2.784
local terms energy: -286.705076
where:
bonds (distance) C4'-P energy: -73.040
bonds (distance) P-C4' energy: -96.474
flat angles C4'-P-C4' energy: -88.443
flat angles P-C4'-P energy: -17.856
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1755.097718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.097718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.097718 (E_RNA)
where:
Base-Base interactions energy: -1212.776
where: short stacking energy: -526.876
Base-Backbone interact. energy: -0.086
local terms energy: -542.235693
where:
bonds (distance) C4'-P energy: -97.188
bonds (distance) P-C4' energy: -94.665
flat angles C4'-P-C4' energy: -113.987
flat angles P-C4'-P energy: -79.176
tors. eta vs tors. theta energy: -157.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1687.029483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.029483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.029483 (E_RNA)
where:
Base-Base interactions energy: -1159.733
where: short stacking energy: -488.177
Base-Backbone interact. energy: -1.262
local terms energy: -526.034601
where:
bonds (distance) C4'-P energy: -102.021
bonds (distance) P-C4' energy: -106.088
flat angles C4'-P-C4' energy: -114.122
flat angles P-C4'-P energy: -71.469
tors. eta vs tors. theta energy: -132.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1603.131812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.131812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.131812 (E_RNA)
where:
Base-Base interactions energy: -1077.504
where: short stacking energy: -470.589
Base-Backbone interact. energy: -1.649
local terms energy: -523.978863
where:
bonds (distance) C4'-P energy: -88.466
bonds (distance) P-C4' energy: -103.190
flat angles C4'-P-C4' energy: -118.401
flat angles P-C4'-P energy: -75.377
tors. eta vs tors. theta energy: -138.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1483.645789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.645789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.645789 (E_RNA)
where:
Base-Base interactions energy: -1018.446
where: short stacking energy: -424.861
Base-Backbone interact. energy: -0.124
local terms energy: -465.075148
where:
bonds (distance) C4'-P energy: -87.772
bonds (distance) P-C4' energy: -86.630
flat angles C4'-P-C4' energy: -96.879
flat angles P-C4'-P energy: -78.721
tors. eta vs tors. theta energy: -115.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1344.500629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.500629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.500629 (E_RNA)
where:
Base-Base interactions energy: -899.135
where: short stacking energy: -401.836
Base-Backbone interact. energy: 4.218
local terms energy: -449.583738
where:
bonds (distance) C4'-P energy: -84.329
bonds (distance) P-C4' energy: -98.085
flat angles C4'-P-C4' energy: -97.621
flat angles P-C4'-P energy: -66.718
tors. eta vs tors. theta energy: -102.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1248.545750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.545750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.545750 (E_RNA)
where:
Base-Base interactions energy: -813.996
where: short stacking energy: -358.412
Base-Backbone interact. energy: -0.435
local terms energy: -434.114343
where:
bonds (distance) C4'-P energy: -87.899
bonds (distance) P-C4' energy: -89.782
flat angles C4'-P-C4' energy: -97.713
flat angles P-C4'-P energy: -64.733
tors. eta vs tors. theta energy: -93.987
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: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1040.017098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.017098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.017098 (E_RNA)
where:
Base-Base interactions energy: -619.511
where: short stacking energy: -302.075
Base-Backbone interact. energy: 0.955
local terms energy: -421.461843
where:
bonds (distance) C4'-P energy: -87.477
bonds (distance) P-C4' energy: -100.459
flat angles C4'-P-C4' energy: -80.153
flat angles P-C4'-P energy: -77.597
tors. eta vs tors. theta energy: -75.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -888.508735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.508735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.508735 (E_RNA)
where:
Base-Base interactions energy: -539.003
where: short stacking energy: -258.236
Base-Backbone interact. energy: 1.022
local terms energy: -350.527949
where:
bonds (distance) C4'-P energy: -68.574
bonds (distance) P-C4' energy: -103.397
flat angles C4'-P-C4' energy: -82.539
flat angles P-C4'-P energy: -64.936
tors. eta vs tors. theta energy: -31.081
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: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -705.226852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.226852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.226852 (E_RNA)
where:
Base-Base interactions energy: -405.159
where: short stacking energy: -204.788
Base-Backbone interact. energy: -0.565
local terms energy: -299.502694
where:
bonds (distance) C4'-P energy: -68.211
bonds (distance) P-C4' energy: -79.865
flat angles C4'-P-C4' energy: -86.653
flat angles P-C4'-P energy: -45.410
tors. eta vs tors. theta energy: -19.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -634.299395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.299395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.299395 (E_RNA)
where:
Base-Base interactions energy: -339.836
where: short stacking energy: -182.426
Base-Backbone interact. energy: -0.116
local terms energy: -294.348191
where:
bonds (distance) C4'-P energy: -72.277
bonds (distance) P-C4' energy: -83.333
flat angles C4'-P-C4' energy: -87.058
flat angles P-C4'-P energy: -52.713
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1785.414172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.414172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.414172 (E_RNA)
where:
Base-Base interactions energy: -1225.488
where: short stacking energy: -537.706
Base-Backbone interact. energy: -0.970
local terms energy: -558.956451
where:
bonds (distance) C4'-P energy: -113.403
bonds (distance) P-C4' energy: -100.004
flat angles C4'-P-C4' energy: -119.666
flat angles P-C4'-P energy: -70.086
tors. eta vs tors. theta energy: -155.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1668.741014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.741014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.741014 (E_RNA)
where:
Base-Base interactions energy: -1153.524
where: short stacking energy: -496.250
Base-Backbone interact. energy: -3.633
local terms energy: -511.583981
where:
bonds (distance) C4'-P energy: -96.154
bonds (distance) P-C4' energy: -103.832
flat angles C4'-P-C4' energy: -106.189
flat angles P-C4'-P energy: -67.531
tors. eta vs tors. theta energy: -137.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1619.134636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.134636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.134636 (E_RNA)
where:
Base-Base interactions energy: -1103.443
where: short stacking energy: -468.764
Base-Backbone interact. energy: -1.330
local terms energy: -514.361989
where:
bonds (distance) C4'-P energy: -97.281
bonds (distance) P-C4' energy: -91.381
flat angles C4'-P-C4' energy: -106.291
flat angles P-C4'-P energy: -76.647
tors. eta vs tors. theta energy: -142.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1532.189398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.189398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.189398 (E_RNA)
where:
Base-Base interactions energy: -1043.962
where: short stacking energy: -455.714
Base-Backbone interact. energy: -2.500
local terms energy: -485.727207
where:
bonds (distance) C4'-P energy: -86.091
bonds (distance) P-C4' energy: -90.117
flat angles C4'-P-C4' energy: -102.150
flat angles P-C4'-P energy: -62.634
tors. eta vs tors. theta energy: -144.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1372.134835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.134835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.134835 (E_RNA)
where:
Base-Base interactions energy: -911.552
where: short stacking energy: -401.953
Base-Backbone interact. energy: 1.626
local terms energy: -462.209654
where:
bonds (distance) C4'-P energy: -98.888
bonds (distance) P-C4' energy: -94.895
flat angles C4'-P-C4' energy: -96.027
flat angles P-C4'-P energy: -56.421
tors. eta vs tors. theta energy: -115.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1220.895886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.895886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.895886 (E_RNA)
where:
Base-Base interactions energy: -782.343
where: short stacking energy: -363.456
Base-Backbone interact. energy: -1.170
local terms energy: -437.383664
where:
bonds (distance) C4'-P energy: -75.124
bonds (distance) P-C4' energy: -101.725
flat angles C4'-P-C4' energy: -97.409
flat angles P-C4'-P energy: -66.736
tors. eta vs tors. theta energy: -96.390
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: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -995.275546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.275546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.275546 (E_RNA)
where:
Base-Base interactions energy: -602.484
where: short stacking energy: -273.279
Base-Backbone interact. energy: -1.701
local terms energy: -391.091370
where:
bonds (distance) C4'-P energy: -90.338
bonds (distance) P-C4' energy: -101.925
flat angles C4'-P-C4' energy: -89.206
flat angles P-C4'-P energy: -62.207
tors. eta vs tors. theta energy: -47.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -875.948921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.948921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.948921 (E_RNA)
where:
Base-Base interactions energy: -560.248
where: short stacking energy: -257.953
Base-Backbone interact. energy: -0.644
local terms energy: -315.056970
where:
bonds (distance) C4'-P energy: -90.858
bonds (distance) P-C4' energy: -85.696
flat angles C4'-P-C4' energy: -64.711
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: -40.436
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: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -711.021127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.021127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.021127 (E_RNA)
where:
Base-Base interactions energy: -406.772
where: short stacking energy: -205.178
Base-Backbone interact. energy: -0.694
local terms energy: -303.555036
where:
bonds (distance) C4'-P energy: -76.339
bonds (distance) P-C4' energy: -84.075
flat angles C4'-P-C4' energy: -64.962
flat angles P-C4'-P energy: -53.645
tors. eta vs tors. theta energy: -24.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -667.103578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.103578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.103578 (E_RNA)
where:
Base-Base interactions energy: -351.601
where: short stacking energy: -174.403
Base-Backbone interact. energy: -0.654
local terms energy: -314.848751
where:
bonds (distance) C4'-P energy: -80.298
bonds (distance) P-C4' energy: -96.682
flat angles C4'-P-C4' energy: -81.151
flat angles P-C4'-P energy: -52.134
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1782.283142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.283142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.283142 (E_RNA)
where:
Base-Base interactions energy: -1207.750
where: short stacking energy: -513.527
Base-Backbone interact. energy: -0.690
local terms energy: -573.843076
where:
bonds (distance) C4'-P energy: -106.770
bonds (distance) P-C4' energy: -109.296
flat angles C4'-P-C4' energy: -116.108
flat angles P-C4'-P energy: -84.000
tors. eta vs tors. theta energy: -157.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1662.479242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.479242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.479242 (E_RNA)
where:
Base-Base interactions energy: -1170.930
where: short stacking energy: -485.767
Base-Backbone interact. energy: -1.906
local terms energy: -489.643849
where:
bonds (distance) C4'-P energy: -73.497
bonds (distance) P-C4' energy: -100.267
flat angles C4'-P-C4' energy: -111.006
flat angles P-C4'-P energy: -67.675
tors. eta vs tors. theta energy: -137.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1606.074681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.074681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.074681 (E_RNA)
where:
Base-Base interactions energy: -1073.541
where: short stacking energy: -469.824
Base-Backbone interact. energy: -3.842
local terms energy: -528.691219
where:
bonds (distance) C4'-P energy: -95.242
bonds (distance) P-C4' energy: -104.087
flat angles C4'-P-C4' energy: -121.751
flat angles P-C4'-P energy: -60.965
tors. eta vs tors. theta energy: -146.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1459.047990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.047990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.047990 (E_RNA)
where:
Base-Base interactions energy: -985.086
where: short stacking energy: -424.624
Base-Backbone interact. energy: 0.794
local terms energy: -474.755346
where:
bonds (distance) C4'-P energy: -83.857
bonds (distance) P-C4' energy: -97.224
flat angles C4'-P-C4' energy: -107.801
flat angles P-C4'-P energy: -58.483
tors. eta vs tors. theta energy: -127.390
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: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1363.402421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.402421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.402421 (E_RNA)
where:
Base-Base interactions energy: -915.411
where: short stacking energy: -402.862
Base-Backbone interact. energy: 1.138
local terms energy: -449.129241
where:
bonds (distance) C4'-P energy: -89.834
bonds (distance) P-C4' energy: -85.958
flat angles C4'-P-C4' energy: -99.822
flat angles P-C4'-P energy: -71.422
tors. eta vs tors. theta energy: -102.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1262.548713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.548713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.548713 (E_RNA)
where:
Base-Base interactions energy: -824.792
where: short stacking energy: -362.982
Base-Backbone interact. energy: 0.377
local terms energy: -438.133042
where:
bonds (distance) C4'-P energy: -95.967
bonds (distance) P-C4' energy: -83.276
flat angles C4'-P-C4' energy: -98.377
flat angles P-C4'-P energy: -55.742
tors. eta vs tors. theta energy: -104.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1012.281006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.281006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.281006 (E_RNA)
where:
Base-Base interactions energy: -622.663
where: short stacking energy: -292.046
Base-Backbone interact. energy: 2.948
local terms energy: -392.565868
where:
bonds (distance) C4'-P energy: -87.490
bonds (distance) P-C4' energy: -94.355
flat angles C4'-P-C4' energy: -92.825
flat angles P-C4'-P energy: -53.354
tors. eta vs tors. theta energy: -64.542
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: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -869.455232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.455232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.455232 (E_RNA)
where:
Base-Base interactions energy: -542.797
where: short stacking energy: -244.214
Base-Backbone interact. energy: -1.369
local terms energy: -325.289076
where:
bonds (distance) C4'-P energy: -86.725
bonds (distance) P-C4' energy: -65.811
flat angles C4'-P-C4' energy: -79.139
flat angles P-C4'-P energy: -61.524
tors. eta vs tors. theta energy: -32.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -681.444171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.444171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.444171 (E_RNA)
where:
Base-Base interactions energy: -391.847
where: short stacking energy: -214.399
Base-Backbone interact. energy: 2.711
local terms energy: -292.308266
where:
bonds (distance) C4'-P energy: -56.404
bonds (distance) P-C4' energy: -91.350
flat angles C4'-P-C4' energy: -82.158
flat angles P-C4'-P energy: -46.957
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -650.737582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.737582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.737582 (E_RNA)
where:
Base-Base interactions energy: -351.800
where: short stacking energy: -193.449
Base-Backbone interact. energy: -2.842
local terms energy: -296.095239
where:
bonds (distance) C4'-P energy: -85.330
bonds (distance) P-C4' energy: -73.156
flat angles C4'-P-C4' energy: -81.776
flat angles P-C4'-P energy: -45.416
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1754.857986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.857986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.857986 (E_RNA)
where:
Base-Base interactions energy: -1197.402
where: short stacking energy: -512.988
Base-Backbone interact. energy: -1.486
local terms energy: -555.969434
where:
bonds (distance) C4'-P energy: -99.727
bonds (distance) P-C4' energy: -96.189
flat angles C4'-P-C4' energy: -119.768
flat angles P-C4'-P energy: -82.832
tors. eta vs tors. theta energy: -157.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1707.347376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.347376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.347376 (E_RNA)
where:
Base-Base interactions energy: -1173.623
where: short stacking energy: -506.910
Base-Backbone interact. energy: -3.911
local terms energy: -529.813599
where:
bonds (distance) C4'-P energy: -82.325
bonds (distance) P-C4' energy: -96.715
flat angles C4'-P-C4' energy: -117.827
flat angles P-C4'-P energy: -86.307
tors. eta vs tors. theta energy: -146.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1595.072297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.072297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.072297 (E_RNA)
where:
Base-Base interactions energy: -1088.263
where: short stacking energy: -460.550
Base-Backbone interact. energy: -0.797
local terms energy: -506.011723
where:
bonds (distance) C4'-P energy: -94.314
bonds (distance) P-C4' energy: -94.767
flat angles C4'-P-C4' energy: -110.746
flat angles P-C4'-P energy: -72.076
tors. eta vs tors. theta energy: -134.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1478.018703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.018703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.018703 (E_RNA)
where:
Base-Base interactions energy: -1006.853
where: short stacking energy: -414.086
Base-Backbone interact. energy: 2.522
local terms energy: -473.687724
where:
bonds (distance) C4'-P energy: -85.841
bonds (distance) P-C4' energy: -96.774
flat angles C4'-P-C4' energy: -99.605
flat angles P-C4'-P energy: -66.549
tors. eta vs tors. theta energy: -124.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1383.064691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.064691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.064691 (E_RNA)
where:
Base-Base interactions energy: -922.051
where: short stacking energy: -399.583
Base-Backbone interact. energy: -1.516
local terms energy: -459.498034
where:
bonds (distance) C4'-P energy: -87.967
bonds (distance) P-C4' energy: -92.874
flat angles C4'-P-C4' energy: -109.348
flat angles P-C4'-P energy: -60.717
tors. eta vs tors. theta energy: -108.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1264.317353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.317353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.317353 (E_RNA)
where:
Base-Base interactions energy: -799.946
where: short stacking energy: -355.217
Base-Backbone interact. energy: 0.681
local terms energy: -465.052148
where:
bonds (distance) C4'-P energy: -100.298
bonds (distance) P-C4' energy: -102.302
flat angles C4'-P-C4' energy: -100.363
flat angles P-C4'-P energy: -64.279
tors. eta vs tors. theta energy: -97.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -993.893003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.893003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.893003 (E_RNA)
where:
Base-Base interactions energy: -597.553
where: short stacking energy: -291.896
Base-Backbone interact. energy: 1.283
local terms energy: -397.623313
where:
bonds (distance) C4'-P energy: -87.329
bonds (distance) P-C4' energy: -100.515
flat angles C4'-P-C4' energy: -96.223
flat angles P-C4'-P energy: -56.868
tors. eta vs tors. theta energy: -56.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -797.958114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.958114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.958114 (E_RNA)
where:
Base-Base interactions energy: -453.101
where: short stacking energy: -209.773
Base-Backbone interact. energy: 2.548
local terms energy: -347.404937
where:
bonds (distance) C4'-P energy: -86.826
bonds (distance) P-C4' energy: -89.456
flat angles C4'-P-C4' energy: -89.306
flat angles P-C4'-P energy: -47.926
tors. eta vs tors. theta energy: -33.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -714.951675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.951675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.951675 (E_RNA)
where:
Base-Base interactions energy: -380.584
where: short stacking energy: -210.718
Base-Backbone interact. energy: -2.298
local terms energy: -332.070292
where:
bonds (distance) C4'-P energy: -96.066
bonds (distance) P-C4' energy: -93.729
flat angles C4'-P-C4' energy: -76.473
flat angles P-C4'-P energy: -43.394
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -601.061208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.061208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.061208 (E_RNA)
where:
Base-Base interactions energy: -317.076
where: short stacking energy: -182.114
Base-Backbone interact. energy: -0.361
local terms energy: -283.624380
where:
bonds (distance) C4'-P energy: -86.098
bonds (distance) P-C4' energy: -87.685
flat angles C4'-P-C4' energy: -64.181
flat angles P-C4'-P energy: -33.951
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1743.315045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.315045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.315045 (E_RNA)
where:
Base-Base interactions energy: -1181.004
where: short stacking energy: -526.953
Base-Backbone interact. energy: -1.331
local terms energy: -560.980136
where:
bonds (distance) C4'-P energy: -113.254
bonds (distance) P-C4' energy: -100.169
flat angles C4'-P-C4' energy: -118.936
flat angles P-C4'-P energy: -77.255
tors. eta vs tors. theta energy: -151.366
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: 2, replica: 10
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1707.666853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.666853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.666853 (E_RNA)
where:
Base-Base interactions energy: -1187.102
where: short stacking energy: -498.222
Base-Backbone interact. energy: -0.900
local terms energy: -519.664959
where:
bonds (distance) C4'-P energy: -77.335
bonds (distance) P-C4' energy: -99.862
flat angles C4'-P-C4' energy: -110.009
flat angles P-C4'-P energy: -86.671
tors. eta vs tors. theta energy: -145.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1590.719652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.719652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.719652 (E_RNA)
where:
Base-Base interactions energy: -1089.485
where: short stacking energy: -455.463
Base-Backbone interact. energy: -2.186
local terms energy: -499.048788
where:
bonds (distance) C4'-P energy: -102.380
bonds (distance) P-C4' energy: -89.381
flat angles C4'-P-C4' energy: -111.307
flat angles P-C4'-P energy: -71.364
tors. eta vs tors. theta energy: -124.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1548.836777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.836777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.836777 (E_RNA)
where:
Base-Base interactions energy: -1046.195
where: short stacking energy: -460.023
Base-Backbone interact. energy: -2.252
local terms energy: -500.389708
where:
bonds (distance) C4'-P energy: -104.511
bonds (distance) P-C4' energy: -101.805
flat angles C4'-P-C4' energy: -90.805
flat angles P-C4'-P energy: -56.776
tors. eta vs tors. theta energy: -146.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1384.494439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.494439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.494439 (E_RNA)
where:
Base-Base interactions energy: -930.272
where: short stacking energy: -391.401
Base-Backbone interact. energy: -1.964
local terms energy: -452.258330
where:
bonds (distance) C4'-P energy: -86.681
bonds (distance) P-C4' energy: -88.442
flat angles C4'-P-C4' energy: -103.381
flat angles P-C4'-P energy: -62.400
tors. eta vs tors. theta energy: -111.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1235.674427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.674427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.674427 (E_RNA)
where:
Base-Base interactions energy: -828.346
where: short stacking energy: -355.558
Base-Backbone interact. energy: 1.884
local terms energy: -409.212147
where:
bonds (distance) C4'-P energy: -85.712
bonds (distance) P-C4' energy: -80.566
flat angles C4'-P-C4' energy: -96.571
flat angles P-C4'-P energy: -50.309
tors. eta vs tors. theta energy: -96.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1012.567507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.567507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.567507 (E_RNA)
where:
Base-Base interactions energy: -613.055
where: short stacking energy: -278.628
Base-Backbone interact. energy: 0.567
local terms energy: -400.079685
where:
bonds (distance) C4'-P energy: -92.375
bonds (distance) P-C4' energy: -101.162
flat angles C4'-P-C4' energy: -92.459
flat angles P-C4'-P energy: -62.972
tors. eta vs tors. theta energy: -51.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -736.263628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.263628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.263628 (E_RNA)
where:
Base-Base interactions energy: -400.742
where: short stacking energy: -232.606
Base-Backbone interact. energy: -2.142
local terms energy: -333.379394
where:
bonds (distance) C4'-P energy: -87.384
bonds (distance) P-C4' energy: -80.836
flat angles C4'-P-C4' energy: -81.406
flat angles P-C4'-P energy: -69.712
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -741.656270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.656270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.656270 (E_RNA)
where:
Base-Base interactions energy: -421.428
where: short stacking energy: -208.423
Base-Backbone interact. energy: -2.986
local terms energy: -317.242410
where:
bonds (distance) C4'-P energy: -78.658
bonds (distance) P-C4' energy: -84.525
flat angles C4'-P-C4' energy: -67.677
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -26.506
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: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -614.805825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.805825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.805825 (E_RNA)
where:
Base-Base interactions energy: -316.668
where: short stacking energy: -155.589
Base-Backbone interact. energy: -0.188
local terms energy: -297.949530
where:
bonds (distance) C4'-P energy: -82.507
bonds (distance) P-C4' energy: -84.229
flat angles C4'-P-C4' energy: -75.889
flat angles P-C4'-P energy: -46.279
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1741.995543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.995543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.995543 (E_RNA)
where:
Base-Base interactions energy: -1159.623
where: short stacking energy: -518.971
Base-Backbone interact. energy: 1.058
local terms energy: -583.430310
where:
bonds (distance) C4'-P energy: -105.192
bonds (distance) P-C4' energy: -108.387
flat angles C4'-P-C4' energy: -122.486
flat angles P-C4'-P energy: -85.672
tors. eta vs tors. theta energy: -161.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1670.393928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.393928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.393928 (E_RNA)
where:
Base-Base interactions energy: -1161.773
where: short stacking energy: -467.447
Base-Backbone interact. energy: 0.702
local terms energy: -509.323134
where:
bonds (distance) C4'-P energy: -99.849
bonds (distance) P-C4' energy: -102.915
flat angles C4'-P-C4' energy: -115.938
flat angles P-C4'-P energy: -65.886
tors. eta vs tors. theta energy: -124.734
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: 8
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1602.343045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.343045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.343045 (E_RNA)
where:
Base-Base interactions energy: -1096.050
where: short stacking energy: -451.593
Base-Backbone interact. energy: -1.547
local terms energy: -504.745183
where:
bonds (distance) C4'-P energy: -94.218
bonds (distance) P-C4' energy: -106.441
flat angles C4'-P-C4' energy: -99.688
flat angles P-C4'-P energy: -72.395
tors. eta vs tors. theta energy: -132.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1508.893880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.893880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.893880 (E_RNA)
where:
Base-Base interactions energy: -994.776
where: short stacking energy: -437.919
Base-Backbone interact. energy: -1.095
local terms energy: -513.022708
where:
bonds (distance) C4'-P energy: -101.401
bonds (distance) P-C4' energy: -100.035
flat angles C4'-P-C4' energy: -109.626
flat angles P-C4'-P energy: -69.705
tors. eta vs tors. theta energy: -132.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1401.766218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.766218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.766218 (E_RNA)
where:
Base-Base interactions energy: -946.280
where: short stacking energy: -409.340
Base-Backbone interact. energy: -1.178
local terms energy: -454.308204
where:
bonds (distance) C4'-P energy: -90.672
bonds (distance) P-C4' energy: -85.387
flat angles C4'-P-C4' energy: -108.454
flat angles P-C4'-P energy: -54.206
tors. eta vs tors. theta energy: -115.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1294.902444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.902444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.902444 (E_RNA)
where:
Base-Base interactions energy: -860.292
where: short stacking energy: -369.824
Base-Backbone interact. energy: -0.268
local terms energy: -434.343010
where:
bonds (distance) C4'-P energy: -88.277
bonds (distance) P-C4' energy: -90.452
flat angles C4'-P-C4' energy: -97.194
flat angles P-C4'-P energy: -64.319
tors. eta vs tors. theta energy: -94.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1000.254473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.254473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.254473 (E_RNA)
where:
Base-Base interactions energy: -608.516
where: short stacking energy: -279.444
Base-Backbone interact. energy: 1.152
local terms energy: -392.890881
where:
bonds (distance) C4'-P energy: -80.445
bonds (distance) P-C4' energy: -95.870
flat angles C4'-P-C4' energy: -92.627
flat angles P-C4'-P energy: -59.845
tors. eta vs tors. theta energy: -64.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -756.020949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.020949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.020949 (E_RNA)
where:
Base-Base interactions energy: -403.465
where: short stacking energy: -213.376
Base-Backbone interact. energy: 2.297
local terms energy: -354.852149
where:
bonds (distance) C4'-P energy: -93.584
bonds (distance) P-C4' energy: -97.730
flat angles C4'-P-C4' energy: -97.809
flat angles P-C4'-P energy: -44.042
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -712.510971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.510971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.510971 (E_RNA)
where:
Base-Base interactions energy: -391.464
where: short stacking energy: -191.522
Base-Backbone interact. energy: -1.516
local terms energy: -321.878881
where:
bonds (distance) C4'-P energy: -85.451
bonds (distance) P-C4' energy: -79.705
flat angles C4'-P-C4' energy: -78.676
flat angles P-C4'-P energy: -62.537
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.348 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -638.866259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.866259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.866259 (E_RNA)
where:
Base-Base interactions energy: -344.071
where: short stacking energy: -188.083
Base-Backbone interact. energy: 4.074
local terms energy: -298.869736
where:
bonds (distance) C4'-P energy: -83.059
bonds (distance) P-C4' energy: -89.029
flat angles C4'-P-C4' energy: -64.847
flat angles P-C4'-P energy: -51.192
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1762.012784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.012784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.012784 (E_RNA)
where:
Base-Base interactions energy: -1197.027
where: short stacking energy: -518.445
Base-Backbone interact. energy: -2.178
local terms energy: -562.808319
where:
bonds (distance) C4'-P energy: -104.717
bonds (distance) P-C4' energy: -105.589
flat angles C4'-P-C4' energy: -122.119
flat angles P-C4'-P energy: -74.773
tors. eta vs tors. theta energy: -155.610
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: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1664.611309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.611309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.611309 (E_RNA)
where:
Base-Base interactions energy: -1158.009
where: short stacking energy: -488.443
Base-Backbone interact. energy: -0.225
local terms energy: -506.376979
where:
bonds (distance) C4'-P energy: -90.681
bonds (distance) P-C4' energy: -98.774
flat angles C4'-P-C4' energy: -112.384
flat angles P-C4'-P energy: -71.461
tors. eta vs tors. theta energy: -133.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1644.551901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.551901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.551901 (E_RNA)
where:
Base-Base interactions energy: -1106.640
where: short stacking energy: -466.082
Base-Backbone interact. energy: -1.154
local terms energy: -536.757810
where:
bonds (distance) C4'-P energy: -93.992
bonds (distance) P-C4' energy: -113.645
flat angles C4'-P-C4' energy: -117.901
flat angles P-C4'-P energy: -70.337
tors. eta vs tors. theta energy: -140.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1522.815727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.815727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.815727 (E_RNA)
where:
Base-Base interactions energy: -1039.415
where: short stacking energy: -446.543
Base-Backbone interact. energy: 2.433
local terms energy: -485.833555
where:
bonds (distance) C4'-P energy: -93.544
bonds (distance) P-C4' energy: -87.409
flat angles C4'-P-C4' energy: -99.075
flat angles P-C4'-P energy: -68.903
tors. eta vs tors. theta energy: -136.901
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: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1423.015687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.015687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.015687 (E_RNA)
where:
Base-Base interactions energy: -948.236
where: short stacking energy: -419.598
Base-Backbone interact. energy: -4.534
local terms energy: -470.245594
where:
bonds (distance) C4'-P energy: -88.385
bonds (distance) P-C4' energy: -97.551
flat angles C4'-P-C4' energy: -104.419
flat angles P-C4'-P energy: -63.845
tors. eta vs tors. theta energy: -116.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1319.656017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.656017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.656017 (E_RNA)
where:
Base-Base interactions energy: -855.893
where: short stacking energy: -376.092
Base-Backbone interact. energy: -1.994
local terms energy: -461.769450
where:
bonds (distance) C4'-P energy: -89.236
bonds (distance) P-C4' energy: -90.767
flat angles C4'-P-C4' energy: -102.564
flat angles P-C4'-P energy: -69.833
tors. eta vs tors. theta energy: -109.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1038.209289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.209289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.209289 (E_RNA)
where:
Base-Base interactions energy: -645.144
where: short stacking energy: -298.093
Base-Backbone interact. energy: -2.367
local terms energy: -390.698533
where:
bonds (distance) C4'-P energy: -92.353
bonds (distance) P-C4' energy: -93.015
flat angles C4'-P-C4' energy: -88.097
flat angles P-C4'-P energy: -52.033
tors. eta vs tors. theta energy: -65.201
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: 8, replica: 4
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -764.029668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.029668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.029668 (E_RNA)
where:
Base-Base interactions energy: -431.940
where: short stacking energy: -238.837
Base-Backbone interact. energy: 0.205
local terms energy: -332.295014
where:
bonds (distance) C4'-P energy: -81.705
bonds (distance) P-C4' energy: -87.592
flat angles C4'-P-C4' energy: -93.832
flat angles P-C4'-P energy: -46.583
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -730.370981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.370981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.370981 (E_RNA)
where:
Base-Base interactions energy: -394.759
where: short stacking energy: -200.412
Base-Backbone interact. energy: 2.511
local terms energy: -338.123860
where:
bonds (distance) C4'-P energy: -90.325
bonds (distance) P-C4' energy: -91.175
flat angles C4'-P-C4' energy: -73.140
flat angles P-C4'-P energy: -53.004
tors. eta vs tors. theta energy: -30.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -686.357014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.357014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.357014 (E_RNA)
where:
Base-Base interactions energy: -368.508
where: short stacking energy: -194.405
Base-Backbone interact. energy: -0.307
local terms energy: -317.542534
where:
bonds (distance) C4'-P energy: -87.687
bonds (distance) P-C4' energy: -95.312
flat angles C4'-P-C4' energy: -67.288
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -31.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1745.663280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.663280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.663280 (E_RNA)
where:
Base-Base interactions energy: -1203.507
where: short stacking energy: -521.310
Base-Backbone interact. energy: -0.995
local terms energy: -541.161285
where:
bonds (distance) C4'-P energy: -107.111
bonds (distance) P-C4' energy: -98.139
flat angles C4'-P-C4' energy: -113.197
flat angles P-C4'-P energy: -73.784
tors. eta vs tors. theta energy: -148.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1647.887603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.887603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.887603 (E_RNA)
where:
Base-Base interactions energy: -1119.452
where: short stacking energy: -469.047
Base-Backbone interact. energy: -2.944
local terms energy: -525.492309
where:
bonds (distance) C4'-P energy: -100.302
bonds (distance) P-C4' energy: -101.307
flat angles C4'-P-C4' energy: -115.949
flat angles P-C4'-P energy: -83.864
tors. eta vs tors. theta energy: -124.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1613.664167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.664167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.664167 (E_RNA)
where:
Base-Base interactions energy: -1114.762
where: short stacking energy: -468.724
Base-Backbone interact. energy: -1.680
local terms energy: -497.221999
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -87.891
flat angles C4'-P-C4' energy: -100.703
flat angles P-C4'-P energy: -67.319
tors. eta vs tors. theta energy: -138.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1492.091460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.091460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.091460 (E_RNA)
where:
Base-Base interactions energy: -1021.003
where: short stacking energy: -464.819
Base-Backbone interact. energy: -1.291
local terms energy: -469.797633
where:
bonds (distance) C4'-P energy: -85.849
bonds (distance) P-C4' energy: -91.786
flat angles C4'-P-C4' energy: -87.466
flat angles P-C4'-P energy: -75.879
tors. eta vs tors. theta energy: -128.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1390.134637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.134637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.134637 (E_RNA)
where:
Base-Base interactions energy: -909.713
where: short stacking energy: -406.635
Base-Backbone interact. energy: 0.466
local terms energy: -480.887446
where:
bonds (distance) C4'-P energy: -96.611
bonds (distance) P-C4' energy: -89.525
flat angles C4'-P-C4' energy: -112.009
flat angles P-C4'-P energy: -64.078
tors. eta vs tors. theta energy: -118.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1314.603775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.603775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.603775 (E_RNA)
where:
Base-Base interactions energy: -879.733
where: short stacking energy: -389.807
Base-Backbone interact. energy: 1.341
local terms energy: -436.211595
where:
bonds (distance) C4'-P energy: -79.964
bonds (distance) P-C4' energy: -97.666
flat angles C4'-P-C4' energy: -85.451
flat angles P-C4'-P energy: -68.151
tors. eta vs tors. theta energy: -104.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1012.122738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.122738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.122738 (E_RNA)
where:
Base-Base interactions energy: -655.249
where: short stacking energy: -288.920
Base-Backbone interact. energy: 0.684
local terms energy: -357.557135
where:
bonds (distance) C4'-P energy: -78.544
bonds (distance) P-C4' energy: -81.151
flat angles C4'-P-C4' energy: -72.680
flat angles P-C4'-P energy: -64.970
tors. eta vs tors. theta energy: -60.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -813.868994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.868994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.868994 (E_RNA)
where:
Base-Base interactions energy: -467.275
where: short stacking energy: -239.311
Base-Backbone interact. energy: 0.391
local terms energy: -346.985450
where:
bonds (distance) C4'-P energy: -63.236
bonds (distance) P-C4' energy: -91.263
flat angles C4'-P-C4' energy: -88.107
flat angles P-C4'-P energy: -58.826
tors. eta vs tors. theta energy: -45.553
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: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -711.816798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.816798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.816798 (E_RNA)
where:
Base-Base interactions energy: -398.701
where: short stacking energy: -209.464
Base-Backbone interact. energy: 0.054
local terms energy: -313.170196
where:
bonds (distance) C4'-P energy: -74.629
bonds (distance) P-C4' energy: -94.228
flat angles C4'-P-C4' energy: -81.109
flat angles P-C4'-P energy: -51.015
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -654.744825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.744825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.744825 (E_RNA)
where:
Base-Base interactions energy: -365.192
where: short stacking energy: -189.542
Base-Backbone interact. energy: 3.637
local terms energy: -293.188989
where:
bonds (distance) C4'-P energy: -73.441
bonds (distance) P-C4' energy: -86.447
flat angles C4'-P-C4' energy: -74.588
flat angles P-C4'-P energy: -48.997
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1775.095641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.095641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.095641 (E_RNA)
where:
Base-Base interactions energy: -1226.012
where: short stacking energy: -527.582
Base-Backbone interact. energy: -0.755
local terms energy: -548.328392
where:
bonds (distance) C4'-P energy: -96.395
bonds (distance) P-C4' energy: -106.764
flat angles C4'-P-C4' energy: -112.926
flat angles P-C4'-P energy: -73.681
tors. eta vs tors. theta energy: -158.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1636.369304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.369304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.369304 (E_RNA)
where:
Base-Base interactions energy: -1102.846
where: short stacking energy: -477.775
Base-Backbone interact. energy: -2.468
local terms energy: -531.055137
where:
bonds (distance) C4'-P energy: -91.810
bonds (distance) P-C4' energy: -109.737
flat angles C4'-P-C4' energy: -112.297
flat angles P-C4'-P energy: -79.222
tors. eta vs tors. theta energy: -137.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1639.547006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.547006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.547006 (E_RNA)
where:
Base-Base interactions energy: -1125.812
where: short stacking energy: -464.210
Base-Backbone interact. energy: -2.396
local terms energy: -511.339442
where:
bonds (distance) C4'-P energy: -90.477
bonds (distance) P-C4' energy: -100.546
flat angles C4'-P-C4' energy: -115.202
flat angles P-C4'-P energy: -64.654
tors. eta vs tors. theta energy: -140.460
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: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1476.967430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.967430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.967430 (E_RNA)
where:
Base-Base interactions energy: -962.504
where: short stacking energy: -426.190
Base-Backbone interact. energy: -0.464
local terms energy: -513.999578
where:
bonds (distance) C4'-P energy: -90.850
bonds (distance) P-C4' energy: -95.357
flat angles C4'-P-C4' energy: -107.639
flat angles P-C4'-P energy: -82.449
tors. eta vs tors. theta energy: -137.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1384.368313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.368313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.368313 (E_RNA)
where:
Base-Base interactions energy: -908.920
where: short stacking energy: -418.326
Base-Backbone interact. energy: -1.074
local terms energy: -474.374446
where:
bonds (distance) C4'-P energy: -96.090
bonds (distance) P-C4' energy: -76.569
flat angles C4'-P-C4' energy: -107.693
flat angles P-C4'-P energy: -64.050
tors. eta vs tors. theta energy: -129.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1324.816118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.816118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.816118 (E_RNA)
where:
Base-Base interactions energy: -880.008
where: short stacking energy: -379.537
Base-Backbone interact. energy: -2.210
local terms energy: -442.598767
where:
bonds (distance) C4'-P energy: -76.901
bonds (distance) P-C4' energy: -104.047
flat angles C4'-P-C4' energy: -104.091
flat angles P-C4'-P energy: -55.016
tors. eta vs tors. theta energy: -102.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1068.649040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.649040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.649040 (E_RNA)
where:
Base-Base interactions energy: -642.384
where: short stacking energy: -294.637
Base-Backbone interact. energy: 0.649
local terms energy: -426.914449
where:
bonds (distance) C4'-P energy: -90.792
bonds (distance) P-C4' energy: -97.530
flat angles C4'-P-C4' energy: -100.448
flat angles P-C4'-P energy: -67.600
tors. eta vs tors. theta energy: -70.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -784.459214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.459214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.459214 (E_RNA)
where:
Base-Base interactions energy: -439.018
where: short stacking energy: -237.900
Base-Backbone interact. energy: -0.200
local terms energy: -345.240631
where:
bonds (distance) C4'-P energy: -75.326
bonds (distance) P-C4' energy: -90.063
flat angles C4'-P-C4' energy: -93.041
flat angles P-C4'-P energy: -70.221
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -710.676574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.676574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.676574 (E_RNA)
where:
Base-Base interactions energy: -370.142
where: short stacking energy: -213.317
Base-Backbone interact. energy: -1.995
local terms energy: -338.540065
where:
bonds (distance) C4'-P energy: -86.901
bonds (distance) P-C4' energy: -93.723
flat angles C4'-P-C4' energy: -74.579
flat angles P-C4'-P energy: -52.690
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -659.807506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.807506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.807506 (E_RNA)
where:
Base-Base interactions energy: -358.005
where: short stacking energy: -176.743
Base-Backbone interact. energy: -3.067
local terms energy: -298.735731
where:
bonds (distance) C4'-P energy: -86.425
bonds (distance) P-C4' energy: -66.051
flat angles C4'-P-C4' energy: -89.004
flat angles P-C4'-P energy: -53.478
tors. eta vs tors. theta energy: -3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1773.706531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.706531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.706531 (E_RNA)
where:
Base-Base interactions energy: -1209.851
where: short stacking energy: -522.075
Base-Backbone interact. energy: -1.734
local terms energy: -562.121506
where:
bonds (distance) C4'-P energy: -111.100
bonds (distance) P-C4' energy: -105.517
flat angles C4'-P-C4' energy: -110.063
flat angles P-C4'-P energy: -74.113
tors. eta vs tors. theta energy: -161.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1605.487610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.487610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.487610 (E_RNA)
where:
Base-Base interactions energy: -1107.701
where: short stacking energy: -463.588
Base-Backbone interact. energy: -1.405
local terms energy: -496.381974
where:
bonds (distance) C4'-P energy: -87.168
bonds (distance) P-C4' energy: -88.497
flat angles C4'-P-C4' energy: -129.548
flat angles P-C4'-P energy: -64.984
tors. eta vs tors. theta energy: -126.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1631.254596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.254596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.254596 (E_RNA)
where:
Base-Base interactions energy: -1102.446
where: short stacking energy: -477.175
Base-Backbone interact. energy: -2.750
local terms energy: -526.058498
where:
bonds (distance) C4'-P energy: -91.664
bonds (distance) P-C4' energy: -107.864
flat angles C4'-P-C4' energy: -116.735
flat angles P-C4'-P energy: -73.023
tors. eta vs tors. theta energy: -136.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1480.895836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.895836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.895836 (E_RNA)
where:
Base-Base interactions energy: -1002.223
where: short stacking energy: -430.762
Base-Backbone interact. energy: 0.497
local terms energy: -479.170110
where:
bonds (distance) C4'-P energy: -81.826
bonds (distance) P-C4' energy: -103.542
flat angles C4'-P-C4' energy: -107.774
flat angles P-C4'-P energy: -62.279
tors. eta vs tors. theta energy: -123.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1423.117822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.117822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.117822 (E_RNA)
where:
Base-Base interactions energy: -938.830
where: short stacking energy: -400.366
Base-Backbone interact. energy: -2.435
local terms energy: -481.852488
where:
bonds (distance) C4'-P energy: -93.422
bonds (distance) P-C4' energy: -105.136
flat angles C4'-P-C4' energy: -104.438
flat angles P-C4'-P energy: -60.228
tors. eta vs tors. theta energy: -118.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1366.664598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.664598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.664598 (E_RNA)
where:
Base-Base interactions energy: -902.691
where: short stacking energy: -413.732
Base-Backbone interact. energy: -2.596
local terms energy: -461.377202
where:
bonds (distance) C4'-P energy: -92.012
bonds (distance) P-C4' energy: -80.465
flat angles C4'-P-C4' energy: -102.087
flat angles P-C4'-P energy: -61.273
tors. eta vs tors. theta energy: -125.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1022.435562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.435562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.435562 (E_RNA)
where:
Base-Base interactions energy: -650.345
where: short stacking energy: -302.059
Base-Backbone interact. energy: 0.658
local terms energy: -372.748830
where:
bonds (distance) C4'-P energy: -89.613
bonds (distance) P-C4' energy: -90.923
flat angles C4'-P-C4' energy: -84.383
flat angles P-C4'-P energy: -51.525
tors. eta vs tors. theta energy: -56.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -846.524318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.524318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.524318 (E_RNA)
where:
Base-Base interactions energy: -515.070
where: short stacking energy: -275.644
Base-Backbone interact. energy: -0.223
local terms energy: -331.231032
where:
bonds (distance) C4'-P energy: -79.062
bonds (distance) P-C4' energy: -83.820
flat angles C4'-P-C4' energy: -81.767
flat angles P-C4'-P energy: -54.399
tors. eta vs tors. theta energy: -32.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -705.332115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.332115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.332115 (E_RNA)
where:
Base-Base interactions energy: -377.083
where: short stacking energy: -220.710
Base-Backbone interact. energy: -0.120
local terms energy: -328.129111
where:
bonds (distance) C4'-P energy: -89.154
bonds (distance) P-C4' energy: -80.822
flat angles C4'-P-C4' energy: -91.219
flat angles P-C4'-P energy: -43.241
tors. eta vs tors. theta energy: -23.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -667.632659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.632659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.632659 (E_RNA)
where:
Base-Base interactions energy: -376.170
where: short stacking energy: -176.463
Base-Backbone interact. energy: 0.018
local terms energy: -291.480531
where:
bonds (distance) C4'-P energy: -78.374
bonds (distance) P-C4' energy: -77.584
flat angles C4'-P-C4' energy: -82.919
flat angles P-C4'-P energy: -45.646
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1767.488246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.488246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.488246 (E_RNA)
where:
Base-Base interactions energy: -1208.021
where: short stacking energy: -531.411
Base-Backbone interact. energy: -1.866
local terms energy: -557.601331
where:
bonds (distance) C4'-P energy: -103.782
bonds (distance) P-C4' energy: -102.406
flat angles C4'-P-C4' energy: -122.380
flat angles P-C4'-P energy: -75.151
tors. eta vs tors. theta energy: -153.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1671.659355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.659355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.659355 (E_RNA)
where:
Base-Base interactions energy: -1159.105
where: short stacking energy: -488.696
Base-Backbone interact. energy: -1.425
local terms energy: -511.130045
where:
bonds (distance) C4'-P energy: -85.227
bonds (distance) P-C4' energy: -102.333
flat angles C4'-P-C4' energy: -106.987
flat angles P-C4'-P energy: -74.401
tors. eta vs tors. theta energy: -142.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1628.738191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.738191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.738191 (E_RNA)
where:
Base-Base interactions energy: -1116.805
where: short stacking energy: -469.973
Base-Backbone interact. energy: -2.798
local terms energy: -509.135476
where:
bonds (distance) C4'-P energy: -81.231
bonds (distance) P-C4' energy: -108.614
flat angles C4'-P-C4' energy: -116.473
flat angles P-C4'-P energy: -81.508
tors. eta vs tors. theta energy: -121.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1466.338152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.338152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.338152 (E_RNA)
where:
Base-Base interactions energy: -1016.188
where: short stacking energy: -443.835
Base-Backbone interact. energy: -0.543
local terms energy: -449.607061
where:
bonds (distance) C4'-P energy: -83.008
bonds (distance) P-C4' energy: -77.747
flat angles C4'-P-C4' energy: -96.061
flat angles P-C4'-P energy: -65.299
tors. eta vs tors. theta energy: -127.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1438.798942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.798942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.798942 (E_RNA)
where:
Base-Base interactions energy: -966.491
where: short stacking energy: -418.878
Base-Backbone interact. energy: -1.684
local terms energy: -470.624606
where:
bonds (distance) C4'-P energy: -87.046
bonds (distance) P-C4' energy: -96.821
flat angles C4'-P-C4' energy: -107.582
flat angles P-C4'-P energy: -56.776
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: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1358.782842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.782842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.782842 (E_RNA)
where:
Base-Base interactions energy: -904.168
where: short stacking energy: -390.359
Base-Backbone interact. energy: -1.473
local terms energy: -453.141821
where:
bonds (distance) C4'-P energy: -92.344
bonds (distance) P-C4' energy: -88.105
flat angles C4'-P-C4' energy: -104.939
flat angles P-C4'-P energy: -68.350
tors. eta vs tors. theta energy: -99.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -977.232086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.232086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.232086 (E_RNA)
where:
Base-Base interactions energy: -610.024
where: short stacking energy: -267.157
Base-Backbone interact. energy: -2.036
local terms energy: -365.171370
where:
bonds (distance) C4'-P energy: -105.321
bonds (distance) P-C4' energy: -70.678
flat angles C4'-P-C4' energy: -83.330
flat angles P-C4'-P energy: -53.870
tors. eta vs tors. theta energy: -51.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -819.296185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.296185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.296185 (E_RNA)
where:
Base-Base interactions energy: -497.695
where: short stacking energy: -250.072
Base-Backbone interact. energy: 4.769
local terms energy: -326.370062
where:
bonds (distance) C4'-P energy: -90.867
bonds (distance) P-C4' energy: -95.313
flat angles C4'-P-C4' energy: -66.010
flat angles P-C4'-P energy: -50.299
tors. eta vs tors. theta energy: -23.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -693.117700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.117700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.117700 (E_RNA)
where:
Base-Base interactions energy: -365.968
where: short stacking energy: -185.459
Base-Backbone interact. energy: 2.613
local terms energy: -329.762984
where:
bonds (distance) C4'-P energy: -84.150
bonds (distance) P-C4' energy: -97.428
flat angles C4'-P-C4' energy: -77.202
flat angles P-C4'-P energy: -54.624
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -710.223126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.223126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.223126 (E_RNA)
where:
Base-Base interactions energy: -397.215
where: short stacking energy: -200.380
Base-Backbone interact. energy: -3.658
local terms energy: -309.350078
where:
bonds (distance) C4'-P energy: -78.656
bonds (distance) P-C4' energy: -93.361
flat angles C4'-P-C4' energy: -80.707
flat angles P-C4'-P energy: -29.191
tors. eta vs tors. theta energy: -27.436
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: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1752.594950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.594950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.594950 (E_RNA)
where:
Base-Base interactions energy: -1200.994
where: short stacking energy: -515.415
Base-Backbone interact. energy: -1.962
local terms energy: -549.638492
where:
bonds (distance) C4'-P energy: -99.488
bonds (distance) P-C4' energy: -94.958
flat angles C4'-P-C4' energy: -114.095
flat angles P-C4'-P energy: -79.983
tors. eta vs tors. theta energy: -161.114
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: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1681.486482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.486482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.486482 (E_RNA)
where:
Base-Base interactions energy: -1141.674
where: short stacking energy: -487.729
Base-Backbone interact. energy: -0.515
local terms energy: -539.297171
where:
bonds (distance) C4'-P energy: -101.819
bonds (distance) P-C4' energy: -113.513
flat angles C4'-P-C4' energy: -104.229
flat angles P-C4'-P energy: -68.866
tors. eta vs tors. theta energy: -150.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1633.241264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.241264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.241264 (E_RNA)
where:
Base-Base interactions energy: -1138.865
where: short stacking energy: -450.439
Base-Backbone interact. energy: -3.941
local terms energy: -490.434598
where:
bonds (distance) C4'-P energy: -96.664
bonds (distance) P-C4' energy: -91.997
flat angles C4'-P-C4' energy: -99.080
flat angles P-C4'-P energy: -76.464
tors. eta vs tors. theta energy: -126.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1502.825100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.825100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.825100 (E_RNA)
where:
Base-Base interactions energy: -1021.931
where: short stacking energy: -432.864
Base-Backbone interact. energy: 1.828
local terms energy: -482.721988
where:
bonds (distance) C4'-P energy: -91.583
bonds (distance) P-C4' energy: -102.863
flat angles C4'-P-C4' energy: -107.982
flat angles P-C4'-P energy: -55.309
tors. eta vs tors. theta energy: -124.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1462.712210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.712210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.712210 (E_RNA)
where:
Base-Base interactions energy: -978.817
where: short stacking energy: -429.980
Base-Backbone interact. energy: -2.055
local terms energy: -481.840400
where:
bonds (distance) C4'-P energy: -91.861
bonds (distance) P-C4' energy: -104.421
flat angles C4'-P-C4' energy: -101.329
flat angles P-C4'-P energy: -68.417
tors. eta vs tors. theta energy: -115.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1326.271650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.271650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.271650 (E_RNA)
where:
Base-Base interactions energy: -904.695
where: short stacking energy: -385.804
Base-Backbone interact. energy: -1.872
local terms energy: -419.704057
where:
bonds (distance) C4'-P energy: -82.913
bonds (distance) P-C4' energy: -82.372
flat angles C4'-P-C4' energy: -93.723
flat angles P-C4'-P energy: -60.391
tors. eta vs tors. theta energy: -100.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1022.334037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.334037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.334037 (E_RNA)
where:
Base-Base interactions energy: -636.942
where: short stacking energy: -326.974
Base-Backbone interact. energy: -2.348
local terms energy: -383.043923
where:
bonds (distance) C4'-P energy: -87.708
bonds (distance) P-C4' energy: -83.359
flat angles C4'-P-C4' energy: -87.100
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -72.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -807.816128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.816128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.816128 (E_RNA)
where:
Base-Base interactions energy: -455.421
where: short stacking energy: -240.803
Base-Backbone interact. energy: 0.493
local terms energy: -352.888032
where:
bonds (distance) C4'-P energy: -82.857
bonds (distance) P-C4' energy: -88.933
flat angles C4'-P-C4' energy: -94.827
flat angles P-C4'-P energy: -57.397
tors. eta vs tors. theta energy: -28.875
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: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -741.287624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.287624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.287624 (E_RNA)
where:
Base-Base interactions energy: -459.399
where: short stacking energy: -218.473
Base-Backbone interact. energy: 0.954
local terms energy: -282.842143
where:
bonds (distance) C4'-P energy: -69.588
bonds (distance) P-C4' energy: -68.243
flat angles C4'-P-C4' energy: -66.288
flat angles P-C4'-P energy: -49.433
tors. eta vs tors. theta energy: -29.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -669.738001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.738001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.738001 (E_RNA)
where:
Base-Base interactions energy: -379.911
where: short stacking energy: -189.056
Base-Backbone interact. energy: 9.442
local terms energy: -299.268906
where:
bonds (distance) C4'-P energy: -91.004
bonds (distance) P-C4' energy: -96.923
flat angles C4'-P-C4' energy: -53.989
flat angles P-C4'-P energy: -39.208
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1739.363587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.363587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.363587 (E_RNA)
where:
Base-Base interactions energy: -1199.263
where: short stacking energy: -528.119
Base-Backbone interact. energy: 0.902
local terms energy: -541.002607
where:
bonds (distance) C4'-P energy: -94.207
bonds (distance) P-C4' energy: -101.813
flat angles C4'-P-C4' energy: -120.767
flat angles P-C4'-P energy: -61.079
tors. eta vs tors. theta energy: -163.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1670.581637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.581637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.581637 (E_RNA)
where:
Base-Base interactions energy: -1140.684
where: short stacking energy: -486.326
Base-Backbone interact. energy: -1.326
local terms energy: -528.572170
where:
bonds (distance) C4'-P energy: -84.186
bonds (distance) P-C4' energy: -107.608
flat angles C4'-P-C4' energy: -116.964
flat angles P-C4'-P energy: -74.697
tors. eta vs tors. theta energy: -145.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1622.798139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.798139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.798139 (E_RNA)
where:
Base-Base interactions energy: -1117.350
where: short stacking energy: -462.268
Base-Backbone interact. energy: -6.617
local terms energy: -498.831029
where:
bonds (distance) C4'-P energy: -84.871
bonds (distance) P-C4' energy: -102.367
flat angles C4'-P-C4' energy: -105.866
flat angles P-C4'-P energy: -73.306
tors. eta vs tors. theta energy: -132.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1494.898240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.898240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.898240 (E_RNA)
where:
Base-Base interactions energy: -998.629
where: short stacking energy: -457.528
Base-Backbone interact. energy: -0.843
local terms energy: -495.426755
where:
bonds (distance) C4'-P energy: -103.184
bonds (distance) P-C4' energy: -98.942
flat angles C4'-P-C4' energy: -105.722
flat angles P-C4'-P energy: -62.060
tors. eta vs tors. theta energy: -125.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1493.609498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.609498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.609498 (E_RNA)
where:
Base-Base interactions energy: -1017.514
where: short stacking energy: -445.753
Base-Backbone interact. energy: 1.064
local terms energy: -477.159620
where:
bonds (distance) C4'-P energy: -96.724
bonds (distance) P-C4' energy: -81.625
flat angles C4'-P-C4' energy: -100.948
flat angles P-C4'-P energy: -65.094
tors. eta vs tors. theta energy: -132.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1328.148924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.148924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.148924 (E_RNA)
where:
Base-Base interactions energy: -903.357
where: short stacking energy: -384.026
Base-Backbone interact. energy: -1.751
local terms energy: -423.040983
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -78.340
flat angles C4'-P-C4' energy: -99.759
flat angles P-C4'-P energy: -62.681
tors. eta vs tors. theta energy: -100.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -992.928263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.928263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.928263 (E_RNA)
where:
Base-Base interactions energy: -621.087
where: short stacking energy: -284.234
Base-Backbone interact. energy: 1.849
local terms energy: -373.690605
where:
bonds (distance) C4'-P energy: -74.241
bonds (distance) P-C4' energy: -92.932
flat angles C4'-P-C4' energy: -77.305
flat angles P-C4'-P energy: -60.138
tors. eta vs tors. theta energy: -69.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -821.991072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.991072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.991072 (E_RNA)
where:
Base-Base interactions energy: -471.042
where: short stacking energy: -211.103
Base-Backbone interact. energy: -3.084
local terms energy: -347.864486
where:
bonds (distance) C4'-P energy: -107.566
bonds (distance) P-C4' energy: -89.788
flat angles C4'-P-C4' energy: -84.693
flat angles P-C4'-P energy: -45.779
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: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -751.401222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.401222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.401222 (E_RNA)
where:
Base-Base interactions energy: -438.806
where: short stacking energy: -202.654
Base-Backbone interact. energy: -2.973
local terms energy: -309.622044
where:
bonds (distance) C4'-P energy: -79.374
bonds (distance) P-C4' energy: -79.818
flat angles C4'-P-C4' energy: -71.831
flat angles P-C4'-P energy: -57.025
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -670.528139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.528139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.528139 (E_RNA)
where:
Base-Base interactions energy: -376.242
where: short stacking energy: -197.579
Base-Backbone interact. energy: 0.622
local terms energy: -294.908130
where:
bonds (distance) C4'-P energy: -80.134
bonds (distance) P-C4' energy: -81.377
flat angles C4'-P-C4' energy: -68.381
flat angles P-C4'-P energy: -53.203
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1737.183660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.183660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.183660 (E_RNA)
where:
Base-Base interactions energy: -1181.519
where: short stacking energy: -517.644
Base-Backbone interact. energy: -1.719
local terms energy: -553.945718
where:
bonds (distance) C4'-P energy: -100.190
bonds (distance) P-C4' energy: -103.379
flat angles C4'-P-C4' energy: -116.462
flat angles P-C4'-P energy: -77.407
tors. eta vs tors. theta energy: -156.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1701.348489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.348489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.348489 (E_RNA)
where:
Base-Base interactions energy: -1162.711
where: short stacking energy: -492.291
Base-Backbone interact. energy: -0.258
local terms energy: -538.380145
where:
bonds (distance) C4'-P energy: -93.513
bonds (distance) P-C4' energy: -97.911
flat angles C4'-P-C4' energy: -117.722
flat angles P-C4'-P energy: -79.502
tors. eta vs tors. theta energy: -149.732
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: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1572.181289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.181289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.181289 (E_RNA)
where:
Base-Base interactions energy: -1076.944
where: short stacking energy: -459.258
Base-Backbone interact. energy: -3.824
local terms energy: -491.412735
where:
bonds (distance) C4'-P energy: -93.083
bonds (distance) P-C4' energy: -98.036
flat angles C4'-P-C4' energy: -110.958
flat angles P-C4'-P energy: -63.255
tors. eta vs tors. theta energy: -126.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1514.387872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.387872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.387872 (E_RNA)
where:
Base-Base interactions energy: -1020.412
where: short stacking energy: -441.783
Base-Backbone interact. energy: -0.683
local terms energy: -493.292773
where:
bonds (distance) C4'-P energy: -89.050
bonds (distance) P-C4' energy: -92.329
flat angles C4'-P-C4' energy: -105.802
flat angles P-C4'-P energy: -72.592
tors. eta vs tors. theta energy: -133.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1517.206511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.206511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.206511 (E_RNA)
where:
Base-Base interactions energy: -1026.238
where: short stacking energy: -452.456
Base-Backbone interact. energy: -1.645
local terms energy: -489.323522
where:
bonds (distance) C4'-P energy: -85.179
bonds (distance) P-C4' energy: -104.897
flat angles C4'-P-C4' energy: -98.330
flat angles P-C4'-P energy: -63.297
tors. eta vs tors. theta energy: -137.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1313.627050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.627050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.627050 (E_RNA)
where:
Base-Base interactions energy: -870.161
where: short stacking energy: -380.146
Base-Backbone interact. energy: -1.606
local terms energy: -441.860095
where:
bonds (distance) C4'-P energy: -72.733
bonds (distance) P-C4' energy: -87.250
flat angles C4'-P-C4' energy: -107.691
flat angles P-C4'-P energy: -60.100
tors. eta vs tors. theta energy: -114.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1031.790842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.790842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.790842 (E_RNA)
where:
Base-Base interactions energy: -654.894
where: short stacking energy: -295.019
Base-Backbone interact. energy: -1.995
local terms energy: -374.901641
where:
bonds (distance) C4'-P energy: -92.259
bonds (distance) P-C4' energy: -96.647
flat angles C4'-P-C4' energy: -79.480
flat angles P-C4'-P energy: -60.888
tors. eta vs tors. theta energy: -45.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -833.810718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.810718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.810718 (E_RNA)
where:
Base-Base interactions energy: -503.284
where: short stacking energy: -245.110
Base-Backbone interact. energy: -4.182
local terms energy: -326.345096
where:
bonds (distance) C4'-P energy: -83.583
bonds (distance) P-C4' energy: -74.418
flat angles C4'-P-C4' energy: -83.027
flat angles P-C4'-P energy: -52.436
tors. eta vs tors. theta energy: -32.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -688.551216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.551216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.551216 (E_RNA)
where:
Base-Base interactions energy: -388.697
where: short stacking energy: -188.680
Base-Backbone interact. energy: -2.569
local terms energy: -297.285312
where:
bonds (distance) C4'-P energy: -70.966
bonds (distance) P-C4' energy: -94.281
flat angles C4'-P-C4' energy: -64.263
flat angles P-C4'-P energy: -49.754
tors. eta vs tors. theta energy: -18.021
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: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -707.730556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.730556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.730556 (E_RNA)
where:
Base-Base interactions energy: -411.050
where: short stacking energy: -206.958
Base-Backbone interact. energy: 1.174
local terms energy: -297.976672
where:
bonds (distance) C4'-P energy: -72.019
bonds (distance) P-C4' energy: -82.335
flat angles C4'-P-C4' energy: -84.107
flat angles P-C4'-P energy: -40.676
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.122 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1763.261930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.261930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.261930 (E_RNA)
where:
Base-Base interactions energy: -1199.683
where: short stacking energy: -511.211
Base-Backbone interact. energy: -2.215
local terms energy: -561.363086
where:
bonds (distance) C4'-P energy: -101.669
bonds (distance) P-C4' energy: -108.109
flat angles C4'-P-C4' energy: -116.562
flat angles P-C4'-P energy: -77.606
tors. eta vs tors. theta energy: -157.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1684.480669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.480669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.480669 (E_RNA)
where:
Base-Base interactions energy: -1140.707
where: short stacking energy: -481.558
Base-Backbone interact. energy: -2.142
local terms energy: -541.631329
where:
bonds (distance) C4'-P energy: -99.532
bonds (distance) P-C4' energy: -106.311
flat angles C4'-P-C4' energy: -116.946
flat angles P-C4'-P energy: -74.470
tors. eta vs tors. theta energy: -144.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1545.670328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.670328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.670328 (E_RNA)
where:
Base-Base interactions energy: -1042.254
where: short stacking energy: -449.862
Base-Backbone interact. energy: 2.476
local terms energy: -505.892068
where:
bonds (distance) C4'-P energy: -108.130
bonds (distance) P-C4' energy: -103.667
flat angles C4'-P-C4' energy: -101.283
flat angles P-C4'-P energy: -67.729
tors. eta vs tors. theta energy: -125.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1495.894994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.894994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.894994 (E_RNA)
where:
Base-Base interactions energy: -1020.782
where: short stacking energy: -437.848
Base-Backbone interact. energy: -1.621
local terms energy: -473.492530
where:
bonds (distance) C4'-P energy: -84.281
bonds (distance) P-C4' energy: -93.398
flat angles C4'-P-C4' energy: -104.511
flat angles P-C4'-P energy: -62.550
tors. eta vs tors. theta energy: -128.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1459.868678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.868678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.868678 (E_RNA)
where:
Base-Base interactions energy: -983.237
where: short stacking energy: -426.442
Base-Backbone interact. energy: 4.560
local terms energy: -481.192200
where:
bonds (distance) C4'-P energy: -77.143
bonds (distance) P-C4' energy: -107.818
flat angles C4'-P-C4' energy: -97.457
flat angles P-C4'-P energy: -74.110
tors. eta vs tors. theta energy: -124.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1305.912769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.912769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.912769 (E_RNA)
where:
Base-Base interactions energy: -856.360
where: short stacking energy: -370.430
Base-Backbone interact. energy: -2.457
local terms energy: -447.096412
where:
bonds (distance) C4'-P energy: -88.241
bonds (distance) P-C4' energy: -96.875
flat angles C4'-P-C4' energy: -102.949
flat angles P-C4'-P energy: -59.634
tors. eta vs tors. theta energy: -99.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1051.785896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.785896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.785896 (E_RNA)
where:
Base-Base interactions energy: -660.397
where: short stacking energy: -310.209
Base-Backbone interact. energy: -0.876
local terms energy: -390.512822
where:
bonds (distance) C4'-P energy: -91.049
bonds (distance) P-C4' energy: -87.670
flat angles C4'-P-C4' energy: -85.876
flat angles P-C4'-P energy: -58.778
tors. eta vs tors. theta energy: -67.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -898.465527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.465527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.465527 (E_RNA)
where:
Base-Base interactions energy: -536.196
where: short stacking energy: -246.200
Base-Backbone interact. energy: -1.836
local terms energy: -360.433586
where:
bonds (distance) C4'-P energy: -85.013
bonds (distance) P-C4' energy: -92.863
flat angles C4'-P-C4' energy: -79.920
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -58.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -699.644087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.644087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.644087 (E_RNA)
where:
Base-Base interactions energy: -381.974
where: short stacking energy: -206.580
Base-Backbone interact. energy: 1.333
local terms energy: -319.003212
where:
bonds (distance) C4'-P energy: -79.362
bonds (distance) P-C4' energy: -81.326
flat angles C4'-P-C4' energy: -91.550
flat angles P-C4'-P energy: -52.661
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -635.624410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.624410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.624410 (E_RNA)
where:
Base-Base interactions energy: -338.125
where: short stacking energy: -150.778
Base-Backbone interact. energy: 6.522
local terms energy: -304.682257
where:
bonds (distance) C4'-P energy: -73.887
bonds (distance) P-C4' energy: -92.454
flat angles C4'-P-C4' energy: -75.282
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.661 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1756.815700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.815700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.815700 (E_RNA)
where:
Base-Base interactions energy: -1199.761
where: short stacking energy: -509.128
Base-Backbone interact. energy: -0.984
local terms energy: -556.070744
where:
bonds (distance) C4'-P energy: -100.036
bonds (distance) P-C4' energy: -96.525
flat angles C4'-P-C4' energy: -117.230
flat angles P-C4'-P energy: -83.060
tors. eta vs tors. theta energy: -159.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1674.209461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.209461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.209461 (E_RNA)
where:
Base-Base interactions energy: -1131.263
where: short stacking energy: -470.833
Base-Backbone interact. energy: 3.142
local terms energy: -546.089007
where:
bonds (distance) C4'-P energy: -94.828
bonds (distance) P-C4' energy: -100.422
flat angles C4'-P-C4' energy: -120.935
flat angles P-C4'-P energy: -79.858
tors. eta vs tors. theta energy: -150.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1593.019850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.019850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.019850 (E_RNA)
where:
Base-Base interactions energy: -1082.081
where: short stacking energy: -439.187
Base-Backbone interact. energy: -4.272
local terms energy: -506.667665
where:
bonds (distance) C4'-P energy: -97.758
bonds (distance) P-C4' energy: -93.590
flat angles C4'-P-C4' energy: -109.182
flat angles P-C4'-P energy: -76.769
tors. eta vs tors. theta energy: -129.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1484.738114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.738114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.738114 (E_RNA)
where:
Base-Base interactions energy: -993.960
where: short stacking energy: -440.224
Base-Backbone interact. energy: -2.016
local terms energy: -488.762091
where:
bonds (distance) C4'-P energy: -90.598
bonds (distance) P-C4' energy: -95.272
flat angles C4'-P-C4' energy: -104.142
flat angles P-C4'-P energy: -74.519
tors. eta vs tors. theta energy: -124.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1410.047793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.047793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.047793 (E_RNA)
where:
Base-Base interactions energy: -940.903
where: short stacking energy: -385.605
Base-Backbone interact. energy: 2.635
local terms energy: -471.780483
where:
bonds (distance) C4'-P energy: -85.755
bonds (distance) P-C4' energy: -108.558
flat angles C4'-P-C4' energy: -104.194
flat angles P-C4'-P energy: -64.477
tors. eta vs tors. theta energy: -108.796
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: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1337.771706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.771706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.771706 (E_RNA)
where:
Base-Base interactions energy: -860.808
where: short stacking energy: -398.375
Base-Backbone interact. energy: -1.084
local terms energy: -475.880156
where:
bonds (distance) C4'-P energy: -102.185
bonds (distance) P-C4' energy: -96.109
flat angles C4'-P-C4' energy: -99.569
flat angles P-C4'-P energy: -60.282
tors. eta vs tors. theta energy: -117.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1084.724011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.724011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.724011 (E_RNA)
where:
Base-Base interactions energy: -691.079
where: short stacking energy: -310.300
Base-Backbone interact. energy: -1.977
local terms energy: -391.668188
where:
bonds (distance) C4'-P energy: -55.981
bonds (distance) P-C4' energy: -93.056
flat angles C4'-P-C4' energy: -100.143
flat angles P-C4'-P energy: -66.182
tors. eta vs tors. theta energy: -76.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -878.914683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.914683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.914683 (E_RNA)
where:
Base-Base interactions energy: -511.722
where: short stacking energy: -233.341
Base-Backbone interact. energy: 2.689
local terms energy: -369.881055
where:
bonds (distance) C4'-P energy: -90.990
bonds (distance) P-C4' energy: -98.076
flat angles C4'-P-C4' energy: -82.681
flat angles P-C4'-P energy: -62.746
tors. eta vs tors. theta energy: -35.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -743.169629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.169629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.169629 (E_RNA)
where:
Base-Base interactions energy: -434.059
where: short stacking energy: -201.982
Base-Backbone interact. energy: 1.325
local terms energy: -310.435573
where:
bonds (distance) C4'-P energy: -71.946
bonds (distance) P-C4' energy: -96.461
flat angles C4'-P-C4' energy: -77.338
flat angles P-C4'-P energy: -51.738
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -635.334252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.334252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.334252 (E_RNA)
where:
Base-Base interactions energy: -343.267
where: short stacking energy: -150.544
Base-Backbone interact. energy: 3.558
local terms energy: -295.625445
where:
bonds (distance) C4'-P energy: -91.588
bonds (distance) P-C4' energy: -79.322
flat angles C4'-P-C4' energy: -76.798
flat angles P-C4'-P energy: -47.112
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1737.513377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.513377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.513377 (E_RNA)
where:
Base-Base interactions energy: -1182.750
where: short stacking energy: -503.283
Base-Backbone interact. energy: -0.057
local terms energy: -554.706065
where:
bonds (distance) C4'-P energy: -94.455
bonds (distance) P-C4' energy: -107.899
flat angles C4'-P-C4' energy: -114.224
flat angles P-C4'-P energy: -86.219
tors. eta vs tors. theta energy: -151.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1675.982341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.982341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.982341 (E_RNA)
where:
Base-Base interactions energy: -1152.509
where: short stacking energy: -485.976
Base-Backbone interact. energy: -1.797
local terms energy: -521.676283
where:
bonds (distance) C4'-P energy: -103.356
bonds (distance) P-C4' energy: -93.184
flat angles C4'-P-C4' energy: -110.983
flat angles P-C4'-P energy: -77.158
tors. eta vs tors. theta energy: -136.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1568.942666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.942666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.942666 (E_RNA)
where:
Base-Base interactions energy: -1062.228
where: short stacking energy: -459.416
Base-Backbone interact. energy: -2.442
local terms energy: -504.273095
where:
bonds (distance) C4'-P energy: -87.938
bonds (distance) P-C4' energy: -93.606
flat angles C4'-P-C4' energy: -108.639
flat angles P-C4'-P energy: -84.441
tors. eta vs tors. theta energy: -129.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1510.741270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.741270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.741270 (E_RNA)
where:
Base-Base interactions energy: -1011.878
where: short stacking energy: -454.510
Base-Backbone interact. energy: -0.633
local terms energy: -498.230385
where:
bonds (distance) C4'-P energy: -90.766
bonds (distance) P-C4' energy: -101.980
flat angles C4'-P-C4' energy: -111.255
flat angles P-C4'-P energy: -67.654
tors. eta vs tors. theta energy: -126.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1429.228255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.228255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.228255 (E_RNA)
where:
Base-Base interactions energy: -957.083
where: short stacking energy: -411.446
Base-Backbone interact. energy: -3.532
local terms energy: -468.612775
where:
bonds (distance) C4'-P energy: -99.604
bonds (distance) P-C4' energy: -84.660
flat angles C4'-P-C4' energy: -105.723
flat angles P-C4'-P energy: -63.266
tors. eta vs tors. theta energy: -115.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1293.214434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.214434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.214434 (E_RNA)
where:
Base-Base interactions energy: -861.081
where: short stacking energy: -381.539
Base-Backbone interact. energy: -2.125
local terms energy: -430.008745
where:
bonds (distance) C4'-P energy: -91.546
bonds (distance) P-C4' energy: -79.554
flat angles C4'-P-C4' energy: -86.852
flat angles P-C4'-P energy: -55.242
tors. eta vs tors. theta energy: -116.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1099.146493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.146493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.146493 (E_RNA)
where:
Base-Base interactions energy: -699.446
where: short stacking energy: -332.519
Base-Backbone interact. energy: 6.026
local terms energy: -405.726489
where:
bonds (distance) C4'-P energy: -84.116
bonds (distance) P-C4' energy: -90.402
flat angles C4'-P-C4' energy: -94.737
flat angles P-C4'-P energy: -61.119
tors. eta vs tors. theta energy: -75.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -911.218686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.218686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.218686 (E_RNA)
where:
Base-Base interactions energy: -570.620
where: short stacking energy: -261.647
Base-Backbone interact. energy: -1.839
local terms energy: -338.759554
where:
bonds (distance) C4'-P energy: -80.590
bonds (distance) P-C4' energy: -90.220
flat angles C4'-P-C4' energy: -78.898
flat angles P-C4'-P energy: -52.697
tors. eta vs tors. theta energy: -36.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -767.986191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.986191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.986191 (E_RNA)
where:
Base-Base interactions energy: -416.541
where: short stacking energy: -228.988
Base-Backbone interact. energy: 2.647
local terms energy: -354.092050
where:
bonds (distance) C4'-P energy: -87.446
bonds (distance) P-C4' energy: -100.748
flat angles C4'-P-C4' energy: -84.790
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -36.261
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: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -655.678532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.678532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.678532 (E_RNA)
where:
Base-Base interactions energy: -366.523
where: short stacking energy: -167.351
Base-Backbone interact. energy: 1.235
local terms energy: -290.390156
where:
bonds (distance) C4'-P energy: -75.362
bonds (distance) P-C4' energy: -89.532
flat angles C4'-P-C4' energy: -73.138
flat angles P-C4'-P energy: -43.491
tors. eta vs tors. theta energy: -8.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1764.041247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.041247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.041247 (E_RNA)
where:
Base-Base interactions energy: -1219.526
where: short stacking energy: -531.357
Base-Backbone interact. energy: 1.109
local terms energy: -545.624221
where:
bonds (distance) C4'-P energy: -91.169
bonds (distance) P-C4' energy: -100.767
flat angles C4'-P-C4' energy: -112.931
flat angles P-C4'-P energy: -78.401
tors. eta vs tors. theta energy: -162.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1680.515591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.515591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.515591 (E_RNA)
where:
Base-Base interactions energy: -1152.677
where: short stacking energy: -477.730
Base-Backbone interact. energy: -0.993
local terms energy: -526.845504
where:
bonds (distance) C4'-P energy: -87.064
bonds (distance) P-C4' energy: -114.175
flat angles C4'-P-C4' energy: -108.987
flat angles P-C4'-P energy: -71.769
tors. eta vs tors. theta energy: -144.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1586.300697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.300697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.300697 (E_RNA)
where:
Base-Base interactions energy: -1072.546
where: short stacking energy: -451.521
Base-Backbone interact. energy: -3.598
local terms energy: -510.156619
where:
bonds (distance) C4'-P energy: -104.115
bonds (distance) P-C4' energy: -109.459
flat angles C4'-P-C4' energy: -110.628
flat angles P-C4'-P energy: -70.462
tors. eta vs tors. theta energy: -115.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1547.246503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.246503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.246503 (E_RNA)
where:
Base-Base interactions energy: -1064.890
where: short stacking energy: -467.217
Base-Backbone interact. energy: -1.594
local terms energy: -480.762524
where:
bonds (distance) C4'-P energy: -91.956
bonds (distance) P-C4' energy: -92.458
flat angles C4'-P-C4' energy: -96.242
flat angles P-C4'-P energy: -65.120
tors. eta vs tors. theta energy: -134.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1412.963919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.963919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.963919 (E_RNA)
where:
Base-Base interactions energy: -965.018
where: short stacking energy: -399.708
Base-Backbone interact. energy: -1.966
local terms energy: -445.979394
where:
bonds (distance) C4'-P energy: -95.238
bonds (distance) P-C4' energy: -85.665
flat angles C4'-P-C4' energy: -95.933
flat angles P-C4'-P energy: -57.141
tors. eta vs tors. theta energy: -112.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1334.181830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.181830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.181830 (E_RNA)
where:
Base-Base interactions energy: -883.196
where: short stacking energy: -364.718
Base-Backbone interact. energy: -3.314
local terms energy: -447.672213
where:
bonds (distance) C4'-P energy: -88.951
bonds (distance) P-C4' energy: -86.935
flat angles C4'-P-C4' energy: -90.541
flat angles P-C4'-P energy: -68.631
tors. eta vs tors. theta energy: -112.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1011.244884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.244884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.244884 (E_RNA)
where:
Base-Base interactions energy: -638.286
where: short stacking energy: -294.099
Base-Backbone interact. energy: -2.933
local terms energy: -370.025036
where:
bonds (distance) C4'-P energy: -88.425
bonds (distance) P-C4' energy: -92.446
flat angles C4'-P-C4' energy: -89.815
flat angles P-C4'-P energy: -53.037
tors. eta vs tors. theta energy: -46.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -876.012141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.012141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.012141 (E_RNA)
where:
Base-Base interactions energy: -535.737
where: short stacking energy: -250.588
Base-Backbone interact. energy: -0.472
local terms energy: -339.802995
where:
bonds (distance) C4'-P energy: -75.372
bonds (distance) P-C4' energy: -83.854
flat angles C4'-P-C4' energy: -90.018
flat angles P-C4'-P energy: -51.999
tors. eta vs tors. theta energy: -38.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -713.935260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.935260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.935260 (E_RNA)
where:
Base-Base interactions energy: -388.718
where: short stacking energy: -194.150
Base-Backbone interact. energy: -2.647
local terms energy: -322.570556
where:
bonds (distance) C4'-P energy: -76.153
bonds (distance) P-C4' energy: -97.093
flat angles C4'-P-C4' energy: -73.320
flat angles P-C4'-P energy: -62.837
tors. eta vs tors. theta energy: -13.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -593.239464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.239464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.239464 (E_RNA)
where:
Base-Base interactions energy: -346.175
where: short stacking energy: -161.322
Base-Backbone interact. energy: -0.718
local terms energy: -246.345862
where:
bonds (distance) C4'-P energy: -74.259
bonds (distance) P-C4' energy: -74.377
flat angles C4'-P-C4' energy: -76.179
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: 13.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1740.424914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.424914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.424914 (E_RNA)
where:
Base-Base interactions energy: -1190.805
where: short stacking energy: -529.938
Base-Backbone interact. energy: -0.585
local terms energy: -549.034354
where:
bonds (distance) C4'-P energy: -101.181
bonds (distance) P-C4' energy: -97.772
flat angles C4'-P-C4' energy: -119.566
flat angles P-C4'-P energy: -75.451
tors. eta vs tors. theta energy: -155.065
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: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1688.521405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.521405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.521405 (E_RNA)
where:
Base-Base interactions energy: -1167.522
where: short stacking energy: -490.849
Base-Backbone interact. energy: -1.870
local terms energy: -519.129306
where:
bonds (distance) C4'-P energy: -93.368
bonds (distance) P-C4' energy: -90.128
flat angles C4'-P-C4' energy: -110.978
flat angles P-C4'-P energy: -88.830
tors. eta vs tors. theta energy: -135.826
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: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1576.621517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.621517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.621517 (E_RNA)
where:
Base-Base interactions energy: -1078.636
where: short stacking energy: -431.976
Base-Backbone interact. energy: -1.590
local terms energy: -496.395478
where:
bonds (distance) C4'-P energy: -90.999
bonds (distance) P-C4' energy: -102.733
flat angles C4'-P-C4' energy: -107.617
flat angles P-C4'-P energy: -71.644
tors. eta vs tors. theta energy: -123.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1523.651560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.651560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.651560 (E_RNA)
where:
Base-Base interactions energy: -1023.098
where: short stacking energy: -438.263
Base-Backbone interact. energy: 4.617
local terms energy: -505.170350
where:
bonds (distance) C4'-P energy: -96.766
bonds (distance) P-C4' energy: -101.893
flat angles C4'-P-C4' energy: -110.263
flat angles P-C4'-P energy: -71.214
tors. eta vs tors. theta energy: -125.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1412.534509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.534509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.534509 (E_RNA)
where:
Base-Base interactions energy: -977.098
where: short stacking energy: -400.227
Base-Backbone interact. energy: -2.482
local terms energy: -432.954527
where:
bonds (distance) C4'-P energy: -86.968
bonds (distance) P-C4' energy: -90.012
flat angles C4'-P-C4' energy: -93.971
flat angles P-C4'-P energy: -59.371
tors. eta vs tors. theta energy: -102.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1310.756979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.756979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.756979 (E_RNA)
where:
Base-Base interactions energy: -873.951
where: short stacking energy: -371.702
Base-Backbone interact. energy: -2.286
local terms energy: -434.519742
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -81.456
flat angles C4'-P-C4' energy: -98.464
flat angles P-C4'-P energy: -60.248
tors. eta vs tors. theta energy: -103.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1052.407213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.407213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.407213 (E_RNA)
where:
Base-Base interactions energy: -649.155
where: short stacking energy: -319.500
Base-Backbone interact. energy: -0.337
local terms energy: -402.914391
where:
bonds (distance) C4'-P energy: -77.614
bonds (distance) P-C4' energy: -69.411
flat angles C4'-P-C4' energy: -109.140
flat angles P-C4'-P energy: -61.029
tors. eta vs tors. theta energy: -85.721
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: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -875.093494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.093494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.093494 (E_RNA)
where:
Base-Base interactions energy: -522.884
where: short stacking energy: -235.824
Base-Backbone interact. energy: -1.633
local terms energy: -350.576120
where:
bonds (distance) C4'-P energy: -86.973
bonds (distance) P-C4' energy: -99.884
flat angles C4'-P-C4' energy: -80.233
flat angles P-C4'-P energy: -47.452
tors. eta vs tors. theta energy: -36.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -675.589434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.589434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.589434 (E_RNA)
where:
Base-Base interactions energy: -347.132
where: short stacking energy: -181.423
Base-Backbone interact. energy: -0.677
local terms energy: -327.780706
where:
bonds (distance) C4'-P energy: -88.439
bonds (distance) P-C4' energy: -87.175
flat angles C4'-P-C4' energy: -85.897
flat angles P-C4'-P energy: -48.691
tors. eta vs tors. theta energy: -17.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -589.862046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.862046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.862046 (E_RNA)
where:
Base-Base interactions energy: -332.213
where: short stacking energy: -150.929
Base-Backbone interact. energy: -1.421
local terms energy: -256.227327
where:
bonds (distance) C4'-P energy: -81.175
bonds (distance) P-C4' energy: -88.727
flat angles C4'-P-C4' energy: -84.246
flat angles P-C4'-P energy: -24.348
tors. eta vs tors. theta energy: 22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1723.452334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.452334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.452334 (E_RNA)
where:
Base-Base interactions energy: -1168.516
where: short stacking energy: -475.872
Base-Backbone interact. energy: -0.596
local terms energy: -554.340033
where:
bonds (distance) C4'-P energy: -103.608
bonds (distance) P-C4' energy: -108.718
flat angles C4'-P-C4' energy: -122.737
flat angles P-C4'-P energy: -84.821
tors. eta vs tors. theta energy: -134.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1719.168756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.168756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.168756 (E_RNA)
where:
Base-Base interactions energy: -1168.723
where: short stacking energy: -520.923
Base-Backbone interact. energy: -0.007
local terms energy: -550.438525
where:
bonds (distance) C4'-P energy: -105.699
bonds (distance) P-C4' energy: -100.678
flat angles C4'-P-C4' energy: -106.104
flat angles P-C4'-P energy: -73.824
tors. eta vs tors. theta energy: -164.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1616.569580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.569580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.569580 (E_RNA)
where:
Base-Base interactions energy: -1116.104
where: short stacking energy: -462.420
Base-Backbone interact. energy: -2.666
local terms energy: -497.800054
where:
bonds (distance) C4'-P energy: -94.695
bonds (distance) P-C4' energy: -81.949
flat angles C4'-P-C4' energy: -105.365
flat angles P-C4'-P energy: -80.203
tors. eta vs tors. theta energy: -135.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1517.998484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.998484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.998484 (E_RNA)
where:
Base-Base interactions energy: -1037.284
where: short stacking energy: -442.701
Base-Backbone interact. energy: -3.870
local terms energy: -476.844493
where:
bonds (distance) C4'-P energy: -92.249
bonds (distance) P-C4' energy: -88.587
flat angles C4'-P-C4' energy: -100.680
flat angles P-C4'-P energy: -69.713
tors. eta vs tors. theta energy: -125.617
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: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1384.940216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.940216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.940216 (E_RNA)
where:
Base-Base interactions energy: -903.297
where: short stacking energy: -408.805
Base-Backbone interact. energy: -0.331
local terms energy: -481.311578
where:
bonds (distance) C4'-P energy: -79.535
bonds (distance) P-C4' energy: -107.492
flat angles C4'-P-C4' energy: -100.556
flat angles P-C4'-P energy: -76.968
tors. eta vs tors. theta energy: -116.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1372.685099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.685099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.685099 (E_RNA)
where:
Base-Base interactions energy: -926.329
where: short stacking energy: -381.510
Base-Backbone interact. energy: -0.810
local terms energy: -445.546484
where:
bonds (distance) C4'-P energy: -86.328
bonds (distance) P-C4' energy: -94.518
flat angles C4'-P-C4' energy: -97.248
flat angles P-C4'-P energy: -63.993
tors. eta vs tors. theta energy: -103.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -979.388344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.388344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.388344 (E_RNA)
where:
Base-Base interactions energy: -602.317
where: short stacking energy: -275.450
Base-Backbone interact. energy: -0.355
local terms energy: -376.716406
where:
bonds (distance) C4'-P energy: -95.553
bonds (distance) P-C4' energy: -89.853
flat angles C4'-P-C4' energy: -88.054
flat angles P-C4'-P energy: -45.498
tors. eta vs tors. theta energy: -57.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -906.889181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.889181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.889181 (E_RNA)
where:
Base-Base interactions energy: -568.276
where: short stacking energy: -258.182
Base-Backbone interact. energy: 0.555
local terms energy: -339.168114
where:
bonds (distance) C4'-P energy: -70.805
bonds (distance) P-C4' energy: -87.792
flat angles C4'-P-C4' energy: -81.730
flat angles P-C4'-P energy: -58.264
tors. eta vs tors. theta energy: -40.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -713.987018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.987018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.987018 (E_RNA)
where:
Base-Base interactions energy: -389.204
where: short stacking energy: -214.576
Base-Backbone interact. energy: -1.592
local terms energy: -323.191826
where:
bonds (distance) C4'-P energy: -85.924
bonds (distance) P-C4' energy: -82.146
flat angles C4'-P-C4' energy: -86.030
flat angles P-C4'-P energy: -53.948
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -542.561093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.561093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.561093 (E_RNA)
where:
Base-Base interactions energy: -255.703
where: short stacking energy: -138.505
Base-Backbone interact. energy: 1.491
local terms energy: -288.349645
where:
bonds (distance) C4'-P energy: -68.909
bonds (distance) P-C4' energy: -90.026
flat angles C4'-P-C4' energy: -79.770
flat angles P-C4'-P energy: -52.979
tors. eta vs tors. theta energy: 3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1730.015549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.015549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.015549 (E_RNA)
where:
Base-Base interactions energy: -1189.981
where: short stacking energy: -499.290
Base-Backbone interact. energy: -1.372
local terms energy: -538.662523
where:
bonds (distance) C4'-P energy: -102.566
bonds (distance) P-C4' energy: -102.406
flat angles C4'-P-C4' energy: -110.971
flat angles P-C4'-P energy: -80.100
tors. eta vs tors. theta energy: -142.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1692.954722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.954722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.954722 (E_RNA)
where:
Base-Base interactions energy: -1172.620
where: short stacking energy: -511.425
Base-Backbone interact. energy: 0.554
local terms energy: -520.888369
where:
bonds (distance) C4'-P energy: -103.327
bonds (distance) P-C4' energy: -90.427
flat angles C4'-P-C4' energy: -102.760
flat angles P-C4'-P energy: -69.437
tors. eta vs tors. theta energy: -154.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1618.519923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.519923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.519923 (E_RNA)
where:
Base-Base interactions energy: -1090.778
where: short stacking energy: -469.672
Base-Backbone interact. energy: -1.487
local terms energy: -526.255537
where:
bonds (distance) C4'-P energy: -102.860
bonds (distance) P-C4' energy: -93.593
flat angles C4'-P-C4' energy: -108.249
flat angles P-C4'-P energy: -82.402
tors. eta vs tors. theta energy: -139.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1530.527896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.527896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.527896 (E_RNA)
where:
Base-Base interactions energy: -1025.192
where: short stacking energy: -478.601
Base-Backbone interact. energy: -1.422
local terms energy: -503.913859
where:
bonds (distance) C4'-P energy: -87.655
bonds (distance) P-C4' energy: -95.516
flat angles C4'-P-C4' energy: -113.290
flat angles P-C4'-P energy: -69.639
tors. eta vs tors. theta energy: -137.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1362.293133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.293133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.293133 (E_RNA)
where:
Base-Base interactions energy: -909.038
where: short stacking energy: -389.849
Base-Backbone interact. energy: -0.343
local terms energy: -452.911672
where:
bonds (distance) C4'-P energy: -81.582
bonds (distance) P-C4' energy: -94.974
flat angles C4'-P-C4' energy: -99.979
flat angles P-C4'-P energy: -66.995
tors. eta vs tors. theta energy: -109.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1343.980605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.980605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.980605 (E_RNA)
where:
Base-Base interactions energy: -910.271
where: short stacking energy: -391.738
Base-Backbone interact. energy: -3.035
local terms energy: -430.674923
where:
bonds (distance) C4'-P energy: -87.549
bonds (distance) P-C4' energy: -85.402
flat angles C4'-P-C4' energy: -103.831
flat angles P-C4'-P energy: -54.234
tors. eta vs tors. theta energy: -99.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -980.006756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.006756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.006756 (E_RNA)
where:
Base-Base interactions energy: -604.606
where: short stacking energy: -264.635
Base-Backbone interact. energy: -2.136
local terms energy: -373.265032
where:
bonds (distance) C4'-P energy: -83.791
bonds (distance) P-C4' energy: -96.138
flat angles C4'-P-C4' energy: -85.522
flat angles P-C4'-P energy: -52.453
tors. eta vs tors. theta energy: -55.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -868.605105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.605105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.605105 (E_RNA)
where:
Base-Base interactions energy: -519.550
where: short stacking energy: -228.267
Base-Backbone interact. energy: -0.287
local terms energy: -348.768202
where:
bonds (distance) C4'-P energy: -80.837
bonds (distance) P-C4' energy: -97.437
flat angles C4'-P-C4' energy: -92.699
flat angles P-C4'-P energy: -53.579
tors. eta vs tors. theta energy: -24.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -670.302060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.302060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.302060 (E_RNA)
where:
Base-Base interactions energy: -368.769
where: short stacking energy: -209.179
Base-Backbone interact. energy: -0.613
local terms energy: -300.919204
where:
bonds (distance) C4'-P energy: -75.312
bonds (distance) P-C4' energy: -73.821
flat angles C4'-P-C4' energy: -72.000
flat angles P-C4'-P energy: -49.835
tors. eta vs tors. theta energy: -29.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -558.893540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.893540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.893540 (E_RNA)
where:
Base-Base interactions energy: -285.273
where: short stacking energy: -160.799
Base-Backbone interact. energy: -1.692
local terms energy: -271.928464
where:
bonds (distance) C4'-P energy: -82.441
bonds (distance) P-C4' energy: -71.181
flat angles C4'-P-C4' energy: -72.898
flat angles P-C4'-P energy: -46.485
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1731.074667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.074667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.074667 (E_RNA)
where:
Base-Base interactions energy: -1194.648
where: short stacking energy: -483.337
Base-Backbone interact. energy: -2.658
local terms energy: -533.768914
where:
bonds (distance) C4'-P energy: -100.126
bonds (distance) P-C4' energy: -106.119
flat angles C4'-P-C4' energy: -111.172
flat angles P-C4'-P energy: -77.352
tors. eta vs tors. theta energy: -139.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1702.186726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.186726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.186726 (E_RNA)
where:
Base-Base interactions energy: -1162.280
where: short stacking energy: -512.775
Base-Backbone interact. energy: -1.672
local terms energy: -538.234765
where:
bonds (distance) C4'-P energy: -95.015
bonds (distance) P-C4' energy: -110.735
flat angles C4'-P-C4' energy: -103.641
flat angles P-C4'-P energy: -72.088
tors. eta vs tors. theta energy: -156.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1602.387140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.387140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.387140 (E_RNA)
where:
Base-Base interactions energy: -1100.271
where: short stacking energy: -452.809
Base-Backbone interact. energy: -2.583
local terms energy: -499.533322
where:
bonds (distance) C4'-P energy: -92.915
bonds (distance) P-C4' energy: -100.946
flat angles C4'-P-C4' energy: -106.131
flat angles P-C4'-P energy: -69.776
tors. eta vs tors. theta energy: -129.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1522.444470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.444470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.444470 (E_RNA)
where:
Base-Base interactions energy: -1036.066
where: short stacking energy: -455.526
Base-Backbone interact. energy: -0.715
local terms energy: -485.663699
where:
bonds (distance) C4'-P energy: -88.113
bonds (distance) P-C4' energy: -92.843
flat angles C4'-P-C4' energy: -106.570
flat angles P-C4'-P energy: -64.081
tors. eta vs tors. theta energy: -134.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1376.699853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.699853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.699853 (E_RNA)
where:
Base-Base interactions energy: -921.417
where: short stacking energy: -398.947
Base-Backbone interact. energy: -3.615
local terms energy: -451.667376
where:
bonds (distance) C4'-P energy: -88.092
bonds (distance) P-C4' energy: -92.569
flat angles C4'-P-C4' energy: -93.763
flat angles P-C4'-P energy: -67.806
tors. eta vs tors. theta energy: -109.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1336.870471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.870471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.870471 (E_RNA)
where:
Base-Base interactions energy: -866.805
where: short stacking energy: -390.402
Base-Backbone interact. energy: 1.605
local terms energy: -471.670326
where:
bonds (distance) C4'-P energy: -91.413
bonds (distance) P-C4' energy: -101.465
flat angles C4'-P-C4' energy: -104.559
flat angles P-C4'-P energy: -66.110
tors. eta vs tors. theta energy: -108.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -965.939391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.939391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.939391 (E_RNA)
where:
Base-Base interactions energy: -610.721
where: short stacking energy: -291.661
Base-Backbone interact. energy: 2.165
local terms energy: -357.383308
where:
bonds (distance) C4'-P energy: -72.125
bonds (distance) P-C4' energy: -96.676
flat angles C4'-P-C4' energy: -81.210
flat angles P-C4'-P energy: -59.184
tors. eta vs tors. theta energy: -48.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -950.517862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.517862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.517862 (E_RNA)
where:
Base-Base interactions energy: -610.692
where: short stacking energy: -268.297
Base-Backbone interact. energy: -3.588
local terms energy: -336.237359
where:
bonds (distance) C4'-P energy: -92.901
bonds (distance) P-C4' energy: -79.497
flat angles C4'-P-C4' energy: -83.477
flat angles P-C4'-P energy: -34.954
tors. eta vs tors. theta energy: -45.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -669.977950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.977950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.977950 (E_RNA)
where:
Base-Base interactions energy: -371.705
where: short stacking energy: -204.558
Base-Backbone interact. energy: 5.453
local terms energy: -303.726622
where:
bonds (distance) C4'-P energy: -88.280
bonds (distance) P-C4' energy: -71.282
flat angles C4'-P-C4' energy: -81.185
flat angles P-C4'-P energy: -49.879
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -541.424949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.424949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.424949 (E_RNA)
where:
Base-Base interactions energy: -270.570
where: short stacking energy: -147.139
Base-Backbone interact. energy: -1.073
local terms energy: -269.781923
where:
bonds (distance) C4'-P energy: -76.834
bonds (distance) P-C4' energy: -88.911
flat angles C4'-P-C4' energy: -74.278
flat angles P-C4'-P energy: -44.330
tors. eta vs tors. theta energy: 14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1747.419110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.419110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.419110 (E_RNA)
where:
Base-Base interactions energy: -1199.037
where: short stacking energy: -509.034
Base-Backbone interact. energy: -1.409
local terms energy: -546.973900
where:
bonds (distance) C4'-P energy: -103.473
bonds (distance) P-C4' energy: -104.619
flat angles C4'-P-C4' energy: -116.233
flat angles P-C4'-P energy: -70.752
tors. eta vs tors. theta energy: -151.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1705.552525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.552525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.552525 (E_RNA)
where:
Base-Base interactions energy: -1153.372
where: short stacking energy: -500.643
Base-Backbone interact. energy: -1.071
local terms energy: -551.109543
where:
bonds (distance) C4'-P energy: -97.433
bonds (distance) P-C4' energy: -102.662
flat angles C4'-P-C4' energy: -119.406
flat angles P-C4'-P energy: -79.783
tors. eta vs tors. theta energy: -151.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1553.406092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.406092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.406092 (E_RNA)
where:
Base-Base interactions energy: -1075.385
where: short stacking energy: -440.339
Base-Backbone interact. energy: -4.316
local terms energy: -473.705655
where:
bonds (distance) C4'-P energy: -96.328
bonds (distance) P-C4' energy: -73.871
flat angles C4'-P-C4' energy: -104.845
flat angles P-C4'-P energy: -78.172
tors. eta vs tors. theta energy: -120.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1524.172445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.172445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.172445 (E_RNA)
where:
Base-Base interactions energy: -1042.219
where: short stacking energy: -456.888
Base-Backbone interact. energy: -1.221
local terms energy: -480.732999
where:
bonds (distance) C4'-P energy: -84.147
bonds (distance) P-C4' energy: -91.385
flat angles C4'-P-C4' energy: -102.637
flat angles P-C4'-P energy: -64.647
tors. eta vs tors. theta energy: -137.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1391.973427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.973427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.973427 (E_RNA)
where:
Base-Base interactions energy: -941.006
where: short stacking energy: -401.430
Base-Backbone interact. energy: 1.199
local terms energy: -452.165794
where:
bonds (distance) C4'-P energy: -88.866
bonds (distance) P-C4' energy: -79.252
flat angles C4'-P-C4' energy: -104.235
flat angles P-C4'-P energy: -61.118
tors. eta vs tors. theta energy: -118.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1336.748026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.748026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.748026 (E_RNA)
where:
Base-Base interactions energy: -919.776
where: short stacking energy: -403.260
Base-Backbone interact. energy: 1.610
local terms energy: -418.582062
where:
bonds (distance) C4'-P energy: -92.076
bonds (distance) P-C4' energy: -69.301
flat angles C4'-P-C4' energy: -90.623
flat angles P-C4'-P energy: -59.972
tors. eta vs tors. theta energy: -106.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -976.074067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.074067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.074067 (E_RNA)
where:
Base-Base interactions energy: -617.803
where: short stacking energy: -277.297
Base-Backbone interact. energy: -2.578
local terms energy: -355.692998
where:
bonds (distance) C4'-P energy: -90.926
bonds (distance) P-C4' energy: -83.123
flat angles C4'-P-C4' energy: -81.362
flat angles P-C4'-P energy: -53.671
tors. eta vs tors. theta energy: -46.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -970.803115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.803115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.803115 (E_RNA)
where:
Base-Base interactions energy: -608.740
where: short stacking energy: -292.862
Base-Backbone interact. energy: -0.733
local terms energy: -361.330054
where:
bonds (distance) C4'-P energy: -75.144
bonds (distance) P-C4' energy: -77.300
flat angles C4'-P-C4' energy: -96.537
flat angles P-C4'-P energy: -51.827
tors. eta vs tors. theta energy: -60.522
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: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -715.988549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.988549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.988549 (E_RNA)
where:
Base-Base interactions energy: -386.797
where: short stacking energy: -207.486
Base-Backbone interact. energy: -0.115
local terms energy: -329.077088
where:
bonds (distance) C4'-P energy: -74.267
bonds (distance) P-C4' energy: -83.950
flat angles C4'-P-C4' energy: -82.465
flat angles P-C4'-P energy: -64.755
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -529.509846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.509846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.509846 (E_RNA)
where:
Base-Base interactions energy: -264.712
where: short stacking energy: -155.284
Base-Backbone interact. energy: -2.565
local terms energy: -262.233311
where:
bonds (distance) C4'-P energy: -95.639
bonds (distance) P-C4' energy: -79.440
flat angles C4'-P-C4' energy: -55.131
flat angles P-C4'-P energy: -38.249
tors. eta vs tors. theta energy: 6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1777.372857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.372857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.372857 (E_RNA)
where:
Base-Base interactions energy: -1222.299
where: short stacking energy: -503.066
Base-Backbone interact. energy: -1.964
local terms energy: -553.110157
where:
bonds (distance) C4'-P energy: -99.747
bonds (distance) P-C4' energy: -112.594
flat angles C4'-P-C4' energy: -110.899
flat angles P-C4'-P energy: -83.276
tors. eta vs tors. theta energy: -146.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1680.579711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.579711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.579711 (E_RNA)
where:
Base-Base interactions energy: -1136.208
where: short stacking energy: -485.823
Base-Backbone interact. energy: 0.865
local terms energy: -545.236321
where:
bonds (distance) C4'-P energy: -98.378
bonds (distance) P-C4' energy: -105.940
flat angles C4'-P-C4' energy: -113.031
flat angles P-C4'-P energy: -81.263
tors. eta vs tors. theta energy: -146.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1571.727097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.727097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.727097 (E_RNA)
where:
Base-Base interactions energy: -1067.842
where: short stacking energy: -446.532
Base-Backbone interact. energy: -2.378
local terms energy: -501.506956
where:
bonds (distance) C4'-P energy: -94.221
bonds (distance) P-C4' energy: -100.789
flat angles C4'-P-C4' energy: -114.495
flat angles P-C4'-P energy: -64.166
tors. eta vs tors. theta energy: -127.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1512.090991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.090991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.090991 (E_RNA)
where:
Base-Base interactions energy: -1013.989
where: short stacking energy: -455.295
Base-Backbone interact. energy: -0.721
local terms energy: -497.381253
where:
bonds (distance) C4'-P energy: -95.530
bonds (distance) P-C4' energy: -82.673
flat angles C4'-P-C4' energy: -109.590
flat angles P-C4'-P energy: -77.089
tors. eta vs tors. theta energy: -132.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1406.554116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.554116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.554116 (E_RNA)
where:
Base-Base interactions energy: -934.165
where: short stacking energy: -410.026
Base-Backbone interact. energy: -1.621
local terms energy: -470.768441
where:
bonds (distance) C4'-P energy: -100.419
bonds (distance) P-C4' energy: -92.562
flat angles C4'-P-C4' energy: -97.822
flat angles P-C4'-P energy: -67.842
tors. eta vs tors. theta energy: -112.123
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: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1322.262187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.262187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.262187 (E_RNA)
where:
Base-Base interactions energy: -848.287
where: short stacking energy: -372.901
Base-Backbone interact. energy: 1.670
local terms energy: -475.645549
where:
bonds (distance) C4'-P energy: -99.191
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -109.116
flat angles P-C4'-P energy: -64.353
tors. eta vs tors. theta energy: -106.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1044.900906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.900906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.900906 (E_RNA)
where:
Base-Base interactions energy: -668.834
where: short stacking energy: -317.326
Base-Backbone interact. energy: 0.137
local terms energy: -376.203441
where:
bonds (distance) C4'-P energy: -88.492
bonds (distance) P-C4' energy: -77.848
flat angles C4'-P-C4' energy: -77.749
flat angles P-C4'-P energy: -61.680
tors. eta vs tors. theta energy: -70.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -952.244557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.244557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.244557 (E_RNA)
where:
Base-Base interactions energy: -572.828
where: short stacking energy: -263.151
Base-Backbone interact. energy: -4.764
local terms energy: -374.651994
where:
bonds (distance) C4'-P energy: -78.897
bonds (distance) P-C4' energy: -98.399
flat angles C4'-P-C4' energy: -92.944
flat angles P-C4'-P energy: -58.252
tors. eta vs tors. theta energy: -46.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -713.689624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.689624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.689624 (E_RNA)
where:
Base-Base interactions energy: -372.329
where: short stacking energy: -191.717
Base-Backbone interact. energy: 0.432
local terms energy: -341.792592
where:
bonds (distance) C4'-P energy: -89.668
bonds (distance) P-C4' energy: -82.156
flat angles C4'-P-C4' energy: -88.918
flat angles P-C4'-P energy: -54.229
tors. eta vs tors. theta energy: -26.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -518.499983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.499983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.499983 (E_RNA)
where:
Base-Base interactions energy: -248.814
where: short stacking energy: -146.215
Base-Backbone interact. energy: 3.837
local terms energy: -273.522608
where:
bonds (distance) C4'-P energy: -77.522
bonds (distance) P-C4' energy: -88.953
flat angles C4'-P-C4' energy: -65.716
flat angles P-C4'-P energy: -42.892
tors. eta vs tors. theta energy: 1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1752.000589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.000589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.000589 (E_RNA)
where:
Base-Base interactions energy: -1221.681
where: short stacking energy: -486.136
Base-Backbone interact. energy: -2.568
local terms energy: -527.750999
where:
bonds (distance) C4'-P energy: -103.484
bonds (distance) P-C4' energy: -90.138
flat angles C4'-P-C4' energy: -116.089
flat angles P-C4'-P energy: -76.076
tors. eta vs tors. theta energy: -141.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1697.918697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.918697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.918697 (E_RNA)
where:
Base-Base interactions energy: -1164.471
where: short stacking energy: -488.644
Base-Backbone interact. energy: -0.312
local terms energy: -533.136114
where:
bonds (distance) C4'-P energy: -88.044
bonds (distance) P-C4' energy: -101.052
flat angles C4'-P-C4' energy: -107.430
flat angles P-C4'-P energy: -85.201
tors. eta vs tors. theta energy: -151.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1581.280930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.280930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.280930 (E_RNA)
where:
Base-Base interactions energy: -1066.633
where: short stacking energy: -456.395
Base-Backbone interact. energy: -3.661
local terms energy: -510.987091
where:
bonds (distance) C4'-P energy: -105.114
bonds (distance) P-C4' energy: -93.221
flat angles C4'-P-C4' energy: -114.271
flat angles P-C4'-P energy: -70.931
tors. eta vs tors. theta energy: -127.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1520.375975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.375975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.375975 (E_RNA)
where:
Base-Base interactions energy: -1008.294
where: short stacking energy: -458.755
Base-Backbone interact. energy: -0.532
local terms energy: -511.549302
where:
bonds (distance) C4'-P energy: -101.152
bonds (distance) P-C4' energy: -93.623
flat angles C4'-P-C4' energy: -110.462
flat angles P-C4'-P energy: -72.795
tors. eta vs tors. theta energy: -133.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1400.800617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.800617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.800617 (E_RNA)
where:
Base-Base interactions energy: -940.542
where: short stacking energy: -374.244
Base-Backbone interact. energy: -0.613
local terms energy: -459.646037
where:
bonds (distance) C4'-P energy: -92.763
bonds (distance) P-C4' energy: -95.307
flat angles C4'-P-C4' energy: -102.645
flat angles P-C4'-P energy: -64.272
tors. eta vs tors. theta energy: -104.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1314.429577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.429577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.429577 (E_RNA)
where:
Base-Base interactions energy: -855.880
where: short stacking energy: -410.631
Base-Backbone interact. energy: -2.809
local terms energy: -455.740587
where:
bonds (distance) C4'-P energy: -85.635
bonds (distance) P-C4' energy: -103.882
flat angles C4'-P-C4' energy: -99.244
flat angles P-C4'-P energy: -58.917
tors. eta vs tors. theta energy: -108.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1026.651736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.651736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.651736 (E_RNA)
where:
Base-Base interactions energy: -660.931
where: short stacking energy: -296.222
Base-Backbone interact. energy: 3.584
local terms energy: -369.304505
where:
bonds (distance) C4'-P energy: -89.275
bonds (distance) P-C4' energy: -79.146
flat angles C4'-P-C4' energy: -88.876
flat angles P-C4'-P energy: -48.580
tors. eta vs tors. theta energy: -63.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -940.571668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.571668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.571668 (E_RNA)
where:
Base-Base interactions energy: -597.480
where: short stacking energy: -282.146
Base-Backbone interact. energy: -0.074
local terms energy: -343.017723
where:
bonds (distance) C4'-P energy: -82.267
bonds (distance) P-C4' energy: -81.904
flat angles C4'-P-C4' energy: -79.294
flat angles P-C4'-P energy: -62.593
tors. eta vs tors. theta energy: -36.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -707.764520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.764520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.764520 (E_RNA)
where:
Base-Base interactions energy: -404.600
where: short stacking energy: -207.476
Base-Backbone interact. energy: 0.240
local terms energy: -303.405218
where:
bonds (distance) C4'-P energy: -73.248
bonds (distance) P-C4' energy: -79.328
flat angles C4'-P-C4' energy: -81.989
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -25.209
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: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -517.932383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.932383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.932383 (E_RNA)
where:
Base-Base interactions energy: -227.807
where: short stacking energy: -143.546
Base-Backbone interact. energy: 3.037
local terms energy: -293.162369
where:
bonds (distance) C4'-P energy: -79.737
bonds (distance) P-C4' energy: -89.594
flat angles C4'-P-C4' energy: -78.793
flat angles P-C4'-P energy: -43.281
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1722.213568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.213568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.213568 (E_RNA)
where:
Base-Base interactions energy: -1184.748
where: short stacking energy: -511.947
Base-Backbone interact. energy: -0.360
local terms energy: -537.106035
where:
bonds (distance) C4'-P energy: -94.385
bonds (distance) P-C4' energy: -101.192
flat angles C4'-P-C4' energy: -116.881
flat angles P-C4'-P energy: -80.617
tors. eta vs tors. theta energy: -144.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1701.299474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.299474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.299474 (E_RNA)
where:
Base-Base interactions energy: -1181.161
where: short stacking energy: -503.225
Base-Backbone interact. energy: -1.374
local terms energy: -518.764357
where:
bonds (distance) C4'-P energy: -89.056
bonds (distance) P-C4' energy: -87.890
flat angles C4'-P-C4' energy: -107.085
flat angles P-C4'-P energy: -77.255
tors. eta vs tors. theta energy: -157.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1598.180299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.180299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.180299 (E_RNA)
where:
Base-Base interactions energy: -1082.915
where: short stacking energy: -460.559
Base-Backbone interact. energy: 4.117
local terms energy: -519.381861
where:
bonds (distance) C4'-P energy: -91.067
bonds (distance) P-C4' energy: -107.473
flat angles C4'-P-C4' energy: -109.311
flat angles P-C4'-P energy: -75.392
tors. eta vs tors. theta energy: -136.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1494.698834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.698834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.698834 (E_RNA)
where:
Base-Base interactions energy: -1023.701
where: short stacking energy: -450.496
Base-Backbone interact. energy: -1.135
local terms energy: -469.863143
where:
bonds (distance) C4'-P energy: -77.376
bonds (distance) P-C4' energy: -92.540
flat angles C4'-P-C4' energy: -100.821
flat angles P-C4'-P energy: -61.753
tors. eta vs tors. theta energy: -137.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1389.281443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.281443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.281443 (E_RNA)
where:
Base-Base interactions energy: -937.757
where: short stacking energy: -409.363
Base-Backbone interact. energy: 1.168
local terms energy: -452.692430
where:
bonds (distance) C4'-P energy: -84.964
bonds (distance) P-C4' energy: -85.540
flat angles C4'-P-C4' energy: -102.502
flat angles P-C4'-P energy: -65.949
tors. eta vs tors. theta energy: -113.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1346.817231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.817231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.817231 (E_RNA)
where:
Base-Base interactions energy: -914.661
where: short stacking energy: -402.987
Base-Backbone interact. energy: -1.714
local terms energy: -430.442557
where:
bonds (distance) C4'-P energy: -69.878
bonds (distance) P-C4' energy: -91.719
flat angles C4'-P-C4' energy: -91.061
flat angles P-C4'-P energy: -73.254
tors. eta vs tors. theta energy: -104.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1049.250854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.250854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.250854 (E_RNA)
where:
Base-Base interactions energy: -642.943
where: short stacking energy: -322.258
Base-Backbone interact. energy: -3.043
local terms energy: -403.265302
where:
bonds (distance) C4'-P energy: -91.904
bonds (distance) P-C4' energy: -79.430
flat angles C4'-P-C4' energy: -94.462
flat angles P-C4'-P energy: -55.741
tors. eta vs tors. theta energy: -81.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -916.541887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.541887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.541887 (E_RNA)
where:
Base-Base interactions energy: -558.849
where: short stacking energy: -241.940
Base-Backbone interact. energy: 0.079
local terms energy: -357.771719
where:
bonds (distance) C4'-P energy: -88.295
bonds (distance) P-C4' energy: -85.377
flat angles C4'-P-C4' energy: -92.597
flat angles P-C4'-P energy: -43.038
tors. eta vs tors. theta energy: -48.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -719.472018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.472018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.472018 (E_RNA)
where:
Base-Base interactions energy: -401.679
where: short stacking energy: -207.042
Base-Backbone interact. energy: 0.238
local terms energy: -318.030756
where:
bonds (distance) C4'-P energy: -80.024
bonds (distance) P-C4' energy: -84.251
flat angles C4'-P-C4' energy: -75.952
flat angles P-C4'-P energy: -51.700
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -499.324387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.324387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.324387 (E_RNA)
where:
Base-Base interactions energy: -208.523
where: short stacking energy: -128.931
Base-Backbone interact. energy: 4.277
local terms energy: -295.078478
where:
bonds (distance) C4'-P energy: -90.413
bonds (distance) P-C4' energy: -98.124
flat angles C4'-P-C4' energy: -77.223
flat angles P-C4'-P energy: -45.090
tors. eta vs tors. theta energy: 15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1726.259005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.259005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.259005 (E_RNA)
where:
Base-Base interactions energy: -1202.079
where: short stacking energy: -509.779
Base-Backbone interact. energy: -0.012
local terms energy: -524.168471
where:
bonds (distance) C4'-P energy: -82.184
bonds (distance) P-C4' energy: -94.861
flat angles C4'-P-C4' energy: -119.207
flat angles P-C4'-P energy: -76.939
tors. eta vs tors. theta energy: -150.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1690.142244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.142244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.142244 (E_RNA)
where:
Base-Base interactions energy: -1171.468
where: short stacking energy: -497.029
Base-Backbone interact. energy: 3.158
local terms energy: -521.832362
where:
bonds (distance) C4'-P energy: -106.642
bonds (distance) P-C4' energy: -92.430
flat angles C4'-P-C4' energy: -105.899
flat angles P-C4'-P energy: -70.789
tors. eta vs tors. theta energy: -146.072
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: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1597.030925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.030925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.030925 (E_RNA)
where:
Base-Base interactions energy: -1085.384
where: short stacking energy: -474.437
Base-Backbone interact. energy: -1.086
local terms energy: -510.561013
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -91.808
flat angles C4'-P-C4' energy: -104.665
flat angles P-C4'-P energy: -70.326
tors. eta vs tors. theta energy: -144.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1510.898977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.898977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.898977 (E_RNA)
where:
Base-Base interactions energy: -1019.711
where: short stacking energy: -446.256
Base-Backbone interact. energy: -0.766
local terms energy: -490.421920
where:
bonds (distance) C4'-P energy: -98.290
bonds (distance) P-C4' energy: -95.886
flat angles C4'-P-C4' energy: -110.158
flat angles P-C4'-P energy: -67.184
tors. eta vs tors. theta energy: -118.904
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: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1416.865450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.865450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.865450 (E_RNA)
where:
Base-Base interactions energy: -938.068
where: short stacking energy: -412.027
Base-Backbone interact. energy: -3.734
local terms energy: -475.063682
where:
bonds (distance) C4'-P energy: -85.180
bonds (distance) P-C4' energy: -101.560
flat angles C4'-P-C4' energy: -102.932
flat angles P-C4'-P energy: -65.263
tors. eta vs tors. theta energy: -120.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1317.922321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.922321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.922321 (E_RNA)
where:
Base-Base interactions energy: -868.819
where: short stacking energy: -367.382
Base-Backbone interact. energy: -2.427
local terms energy: -446.676319
where:
bonds (distance) C4'-P energy: -76.537
bonds (distance) P-C4' energy: -94.966
flat angles C4'-P-C4' energy: -99.640
flat angles P-C4'-P energy: -73.228
tors. eta vs tors. theta energy: -102.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1058.816762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.816762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.816762 (E_RNA)
where:
Base-Base interactions energy: -681.039
where: short stacking energy: -301.807
Base-Backbone interact. energy: -0.538
local terms energy: -377.239623
where:
bonds (distance) C4'-P energy: -77.463
bonds (distance) P-C4' energy: -90.793
flat angles C4'-P-C4' energy: -80.487
flat angles P-C4'-P energy: -58.045
tors. eta vs tors. theta energy: -70.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -976.126485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.126485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.126485 (E_RNA)
where:
Base-Base interactions energy: -606.782
where: short stacking energy: -281.488
Base-Backbone interact. energy: -1.646
local terms energy: -367.698698
where:
bonds (distance) C4'-P energy: -82.883
bonds (distance) P-C4' energy: -87.376
flat angles C4'-P-C4' energy: -96.694
flat angles P-C4'-P energy: -47.741
tors. eta vs tors. theta energy: -53.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -718.635049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.635049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.635049 (E_RNA)
where:
Base-Base interactions energy: -383.194
where: short stacking energy: -214.270
Base-Backbone interact. energy: -1.780
local terms energy: -333.660874
where:
bonds (distance) C4'-P energy: -93.618
bonds (distance) P-C4' energy: -95.159
flat angles C4'-P-C4' energy: -92.232
flat angles P-C4'-P energy: -47.137
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -542.890346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.890346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.890346 (E_RNA)
where:
Base-Base interactions energy: -254.143
where: short stacking energy: -152.443
Base-Backbone interact. energy: -0.137
local terms energy: -288.610289
where:
bonds (distance) C4'-P energy: -70.248
bonds (distance) P-C4' energy: -87.664
flat angles C4'-P-C4' energy: -81.459
flat angles P-C4'-P energy: -47.106
tors. eta vs tors. theta energy: -2.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1731.965871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.965871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.965871 (E_RNA)
where:
Base-Base interactions energy: -1195.636
where: short stacking energy: -514.454
Base-Backbone interact. energy: -2.499
local terms energy: -533.830673
where:
bonds (distance) C4'-P energy: -89.271
bonds (distance) P-C4' energy: -101.866
flat angles C4'-P-C4' energy: -115.111
flat angles P-C4'-P energy: -72.449
tors. eta vs tors. theta energy: -155.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1699.994382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.994382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.994382 (E_RNA)
where:
Base-Base interactions energy: -1183.862
where: short stacking energy: -513.740
Base-Backbone interact. energy: 0.016
local terms energy: -516.149210
where:
bonds (distance) C4'-P energy: -94.460
bonds (distance) P-C4' energy: -90.688
flat angles C4'-P-C4' energy: -103.564
flat angles P-C4'-P energy: -78.877
tors. eta vs tors. theta energy: -148.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1582.250771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.250771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.250771 (E_RNA)
where:
Base-Base interactions energy: -1064.536
where: short stacking energy: -455.752
Base-Backbone interact. energy: 1.351
local terms energy: -519.065788
where:
bonds (distance) C4'-P energy: -99.434
bonds (distance) P-C4' energy: -112.352
flat angles C4'-P-C4' energy: -116.072
flat angles P-C4'-P energy: -61.628
tors. eta vs tors. theta energy: -129.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1497.743099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.743099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.743099 (E_RNA)
where:
Base-Base interactions energy: -1018.538
where: short stacking energy: -438.684
Base-Backbone interact. energy: -2.703
local terms energy: -476.502673
where:
bonds (distance) C4'-P energy: -95.772
bonds (distance) P-C4' energy: -95.603
flat angles C4'-P-C4' energy: -101.841
flat angles P-C4'-P energy: -68.891
tors. eta vs tors. theta energy: -114.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1409.920088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.920088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.920088 (E_RNA)
where:
Base-Base interactions energy: -978.550
where: short stacking energy: -424.481
Base-Backbone interact. energy: 11.965
local terms energy: -443.334471
where:
bonds (distance) C4'-P energy: -79.856
bonds (distance) P-C4' energy: -87.119
flat angles C4'-P-C4' energy: -97.996
flat angles P-C4'-P energy: -57.536
tors. eta vs tors. theta energy: -120.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1386.890593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.890593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.890593 (E_RNA)
where:
Base-Base interactions energy: -916.434
where: short stacking energy: -405.320
Base-Backbone interact. energy: -3.249
local terms energy: -467.207839
where:
bonds (distance) C4'-P energy: -82.507
bonds (distance) P-C4' energy: -97.462
flat angles C4'-P-C4' energy: -104.780
flat angles P-C4'-P energy: -64.946
tors. eta vs tors. theta energy: -117.513
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: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1042.849300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.849300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.849300 (E_RNA)
where:
Base-Base interactions energy: -650.585
where: short stacking energy: -289.996
Base-Backbone interact. energy: 0.522
local terms energy: -392.785795
where:
bonds (distance) C4'-P energy: -82.358
bonds (distance) P-C4' energy: -93.079
flat angles C4'-P-C4' energy: -83.085
flat angles P-C4'-P energy: -66.403
tors. eta vs tors. theta energy: -67.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -889.662572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.662572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.662572 (E_RNA)
where:
Base-Base interactions energy: -566.929
where: short stacking energy: -255.753
Base-Backbone interact. energy: -0.860
local terms energy: -321.873802
where:
bonds (distance) C4'-P energy: -79.916
bonds (distance) P-C4' energy: -79.145
flat angles C4'-P-C4' energy: -95.595
flat angles P-C4'-P energy: -33.297
tors. eta vs tors. theta energy: -33.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -669.542804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.542804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.542804 (E_RNA)
where:
Base-Base interactions energy: -374.449
where: short stacking energy: -198.688
Base-Backbone interact. energy: 0.596
local terms energy: -295.690059
where:
bonds (distance) C4'-P energy: -75.018
bonds (distance) P-C4' energy: -78.613
flat angles C4'-P-C4' energy: -70.728
flat angles P-C4'-P energy: -63.708
tors. eta vs tors. theta energy: -7.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -495.336225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.336225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.336225 (E_RNA)
where:
Base-Base interactions energy: -251.811
where: short stacking energy: -162.354
Base-Backbone interact. energy: 4.178
local terms energy: -247.703729
where:
bonds (distance) C4'-P energy: -66.896
bonds (distance) P-C4' energy: -87.608
flat angles C4'-P-C4' energy: -65.564
flat angles P-C4'-P energy: -29.739
tors. eta vs tors. theta energy: 2.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1743.167200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.167200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.167200 (E_RNA)
where:
Base-Base interactions energy: -1214.639
where: short stacking energy: -512.677
Base-Backbone interact. energy: -2.436
local terms energy: -526.092383
where:
bonds (distance) C4'-P energy: -105.685
bonds (distance) P-C4' energy: -101.838
flat angles C4'-P-C4' energy: -117.228
flat angles P-C4'-P energy: -69.801
tors. eta vs tors. theta energy: -131.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1738.856415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.856415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.856415 (E_RNA)
where:
Base-Base interactions energy: -1182.228
where: short stacking energy: -526.658
Base-Backbone interact. energy: -0.331
local terms energy: -556.297314
where:
bonds (distance) C4'-P energy: -102.877
bonds (distance) P-C4' energy: -107.234
flat angles C4'-P-C4' energy: -118.791
flat angles P-C4'-P energy: -69.280
tors. eta vs tors. theta energy: -158.115
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: 315
Temperature: 1.000000
Total energy: -1602.493856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.493856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.493856 (E_RNA)
where:
Base-Base interactions energy: -1083.140
where: short stacking energy: -451.851
Base-Backbone interact. energy: -4.299
local terms energy: -515.054280
where:
bonds (distance) C4'-P energy: -103.587
bonds (distance) P-C4' energy: -87.685
flat angles C4'-P-C4' energy: -107.572
flat angles P-C4'-P energy: -77.995
tors. eta vs tors. theta energy: -138.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1504.151588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.151588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.151588 (E_RNA)
where:
Base-Base interactions energy: -991.155
where: short stacking energy: -456.305
Base-Backbone interact. energy: -0.592
local terms energy: -512.405291
where:
bonds (distance) C4'-P energy: -96.867
bonds (distance) P-C4' energy: -103.150
flat angles C4'-P-C4' energy: -107.417
flat angles P-C4'-P energy: -73.603
tors. eta vs tors. theta energy: -131.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1391.033849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.033849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.033849 (E_RNA)
where:
Base-Base interactions energy: -931.938
where: short stacking energy: -429.851
Base-Backbone interact. energy: 1.006
local terms energy: -460.101763
where:
bonds (distance) C4'-P energy: -89.586
bonds (distance) P-C4' energy: -92.702
flat angles C4'-P-C4' energy: -98.438
flat angles P-C4'-P energy: -52.611
tors. eta vs tors. theta energy: -126.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1383.614541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.614541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.614541 (E_RNA)
where:
Base-Base interactions energy: -922.814
where: short stacking energy: -398.144
Base-Backbone interact. energy: -0.874
local terms energy: -459.926536
where:
bonds (distance) C4'-P energy: -84.111
bonds (distance) P-C4' energy: -101.562
flat angles C4'-P-C4' energy: -89.599
flat angles P-C4'-P energy: -68.843
tors. eta vs tors. theta energy: -115.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1092.344133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.344133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.344133 (E_RNA)
where:
Base-Base interactions energy: -682.817
where: short stacking energy: -306.031
Base-Backbone interact. energy: -2.088
local terms energy: -407.438296
where:
bonds (distance) C4'-P energy: -73.750
bonds (distance) P-C4' energy: -95.213
flat angles C4'-P-C4' energy: -104.384
flat angles P-C4'-P energy: -51.281
tors. eta vs tors. theta energy: -82.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -869.183201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.183201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.183201 (E_RNA)
where:
Base-Base interactions energy: -523.278
where: short stacking energy: -265.930
Base-Backbone interact. energy: 2.170
local terms energy: -348.075179
where:
bonds (distance) C4'-P energy: -92.535
bonds (distance) P-C4' energy: -90.514
flat angles C4'-P-C4' energy: -85.087
flat angles P-C4'-P energy: -45.552
tors. eta vs tors. theta energy: -34.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -746.192342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.192342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.192342 (E_RNA)
where:
Base-Base interactions energy: -446.398
where: short stacking energy: -222.561
Base-Backbone interact. energy: 0.674
local terms energy: -300.468879
where:
bonds (distance) C4'-P energy: -77.427
bonds (distance) P-C4' energy: -75.245
flat angles C4'-P-C4' energy: -59.927
flat angles P-C4'-P energy: -64.788
tors. eta vs tors. theta energy: -23.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -480.076672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.076672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.076672 (E_RNA)
where:
Base-Base interactions energy: -234.478
where: short stacking energy: -137.663
Base-Backbone interact. energy: -1.178
local terms energy: -244.420559
where:
bonds (distance) C4'-P energy: -72.259
bonds (distance) P-C4' energy: -78.586
flat angles C4'-P-C4' energy: -74.823
flat angles P-C4'-P energy: -32.794
tors. eta vs tors. theta energy: 14.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1758.950030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.950030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.950030 (E_RNA)
where:
Base-Base interactions energy: -1207.640
where: short stacking energy: -507.763
Base-Backbone interact. energy: -2.458
local terms energy: -548.851721
where:
bonds (distance) C4'-P energy: -113.788
bonds (distance) P-C4' energy: -104.238
flat angles C4'-P-C4' energy: -119.961
flat angles P-C4'-P energy: -74.659
tors. eta vs tors. theta energy: -136.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1751.492528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.492528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.492528 (E_RNA)
where:
Base-Base interactions energy: -1199.675
where: short stacking energy: -523.381
Base-Backbone interact. energy: 0.435
local terms energy: -552.251808
where:
bonds (distance) C4'-P energy: -83.779
bonds (distance) P-C4' energy: -103.650
flat angles C4'-P-C4' energy: -119.841
flat angles P-C4'-P energy: -80.070
tors. eta vs tors. theta energy: -164.912
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: 3, replica: 10
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1637.541847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.541847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.541847 (E_RNA)
where:
Base-Base interactions energy: -1139.207
where: short stacking energy: -469.531
Base-Backbone interact. energy: -3.370
local terms energy: -494.965570
where:
bonds (distance) C4'-P energy: -100.740
bonds (distance) P-C4' energy: -96.017
flat angles C4'-P-C4' energy: -110.075
flat angles P-C4'-P energy: -62.567
tors. eta vs tors. theta energy: -125.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1504.470660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.470660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.470660 (E_RNA)
where:
Base-Base interactions energy: -1021.725
where: short stacking energy: -456.320
Base-Backbone interact. energy: 0.145
local terms energy: -482.890309
where:
bonds (distance) C4'-P energy: -81.870
bonds (distance) P-C4' energy: -107.049
flat angles C4'-P-C4' energy: -100.038
flat angles P-C4'-P energy: -60.425
tors. eta vs tors. theta energy: -133.508
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: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1417.238359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.238359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.238359 (E_RNA)
where:
Base-Base interactions energy: -925.511
where: short stacking energy: -408.670
Base-Backbone interact. energy: -2.230
local terms energy: -489.497111
where:
bonds (distance) C4'-P energy: -105.141
bonds (distance) P-C4' energy: -89.835
flat angles C4'-P-C4' energy: -109.597
flat angles P-C4'-P energy: -68.377
tors. eta vs tors. theta energy: -116.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1279.218253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.218253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.218253 (E_RNA)
where:
Base-Base interactions energy: -827.895
where: short stacking energy: -368.182
Base-Backbone interact. energy: -3.584
local terms energy: -447.739102
where:
bonds (distance) C4'-P energy: -93.031
bonds (distance) P-C4' energy: -89.760
flat angles C4'-P-C4' energy: -86.873
flat angles P-C4'-P energy: -68.875
tors. eta vs tors. theta energy: -109.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1062.098769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.098769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.098769 (E_RNA)
where:
Base-Base interactions energy: -680.309
where: short stacking energy: -312.256
Base-Backbone interact. energy: -3.542
local terms energy: -378.247428
where:
bonds (distance) C4'-P energy: -88.489
bonds (distance) P-C4' energy: -99.812
flat angles C4'-P-C4' energy: -87.515
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -54.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -811.986348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.986348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.986348 (E_RNA)
where:
Base-Base interactions energy: -471.269
where: short stacking energy: -224.387
Base-Backbone interact. energy: -0.991
local terms energy: -339.726139
where:
bonds (distance) C4'-P energy: -90.529
bonds (distance) P-C4' energy: -89.353
flat angles C4'-P-C4' energy: -77.749
flat angles P-C4'-P energy: -41.158
tors. eta vs tors. theta energy: -40.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -754.750628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.750628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.750628 (E_RNA)
where:
Base-Base interactions energy: -439.895
where: short stacking energy: -213.598
Base-Backbone interact. energy: -2.570
local terms energy: -312.285694
where:
bonds (distance) C4'-P energy: -68.469
bonds (distance) P-C4' energy: -91.079
flat angles C4'-P-C4' energy: -74.018
flat angles P-C4'-P energy: -43.991
tors. eta vs tors. theta energy: -34.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -509.984709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.984709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.984709 (E_RNA)
where:
Base-Base interactions energy: -237.810
where: short stacking energy: -147.825
Base-Backbone interact. energy: 6.238
local terms energy: -280.388988
where:
bonds (distance) C4'-P energy: -93.171
bonds (distance) P-C4' energy: -81.021
flat angles C4'-P-C4' energy: -77.365
flat angles P-C4'-P energy: -37.586
tors. eta vs tors. theta energy: 8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.977 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1765.964258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.964258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.964258 (E_RNA)
where:
Base-Base interactions energy: -1229.041
where: short stacking energy: -503.370
Base-Backbone interact. energy: -4.502
local terms energy: -532.421362
where:
bonds (distance) C4'-P energy: -98.940
bonds (distance) P-C4' energy: -97.093
flat angles C4'-P-C4' energy: -107.772
flat angles P-C4'-P energy: -82.844
tors. eta vs tors. theta energy: -145.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1764.882770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.882770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.882770 (E_RNA)
where:
Base-Base interactions energy: -1206.736
where: short stacking energy: -534.198
Base-Backbone interact. energy: -0.893
local terms energy: -557.253018
where:
bonds (distance) C4'-P energy: -110.187
bonds (distance) P-C4' energy: -93.046
flat angles C4'-P-C4' energy: -115.115
flat angles P-C4'-P energy: -79.076
tors. eta vs tors. theta energy: -159.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1649.627400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.627400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.627400 (E_RNA)
where:
Base-Base interactions energy: -1145.968
where: short stacking energy: -487.051
Base-Backbone interact. energy: -2.522
local terms energy: -501.137727
where:
bonds (distance) C4'-P energy: -87.392
bonds (distance) P-C4' energy: -92.769
flat angles C4'-P-C4' energy: -109.901
flat angles P-C4'-P energy: -75.548
tors. eta vs tors. theta energy: -135.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1532.630543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.630543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.630543 (E_RNA)
where:
Base-Base interactions energy: -1041.148
where: short stacking energy: -453.008
Base-Backbone interact. energy: 2.240
local terms energy: -493.722443
where:
bonds (distance) C4'-P energy: -74.219
bonds (distance) P-C4' energy: -107.748
flat angles C4'-P-C4' energy: -106.628
flat angles P-C4'-P energy: -68.317
tors. eta vs tors. theta energy: -136.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1382.329362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.329362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.329362 (E_RNA)
where:
Base-Base interactions energy: -913.195
where: short stacking energy: -413.063
Base-Backbone interact. energy: -1.541
local terms energy: -467.594201
where:
bonds (distance) C4'-P energy: -90.200
bonds (distance) P-C4' energy: -92.710
flat angles C4'-P-C4' energy: -100.129
flat angles P-C4'-P energy: -69.811
tors. eta vs tors. theta energy: -114.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1271.272274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.272274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.272274 (E_RNA)
where:
Base-Base interactions energy: -834.228
where: short stacking energy: -361.314
Base-Backbone interact. energy: -2.285
local terms energy: -434.759899
where:
bonds (distance) C4'-P energy: -95.446
bonds (distance) P-C4' energy: -87.924
flat angles C4'-P-C4' energy: -104.964
flat angles P-C4'-P energy: -50.723
tors. eta vs tors. theta energy: -95.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1046.453312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.453312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.453312 (E_RNA)
where:
Base-Base interactions energy: -646.618
where: short stacking energy: -308.993
Base-Backbone interact. energy: 0.319
local terms energy: -400.154954
where:
bonds (distance) C4'-P energy: -105.896
bonds (distance) P-C4' energy: -85.815
flat angles C4'-P-C4' energy: -87.330
flat angles P-C4'-P energy: -48.618
tors. eta vs tors. theta energy: -72.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -824.739775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.739775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.739775 (E_RNA)
where:
Base-Base interactions energy: -486.852
where: short stacking energy: -234.902
Base-Backbone interact. energy: 1.197
local terms energy: -339.084917
where:
bonds (distance) C4'-P energy: -81.816
bonds (distance) P-C4' energy: -82.278
flat angles C4'-P-C4' energy: -85.132
flat angles P-C4'-P energy: -64.736
tors. eta vs tors. theta energy: -25.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -731.344001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.344001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.344001 (E_RNA)
where:
Base-Base interactions energy: -430.182
where: short stacking energy: -201.505
Base-Backbone interact. energy: 1.219
local terms energy: -303.122664
where:
bonds (distance) C4'-P energy: -83.016
bonds (distance) P-C4' energy: -81.976
flat angles C4'-P-C4' energy: -78.800
flat angles P-C4'-P energy: -46.230
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.742 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -569.633430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.633430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.633430 (E_RNA)
where:
Base-Base interactions energy: -283.549
where: short stacking energy: -170.804
Base-Backbone interact. energy: -1.980
local terms energy: -284.104225
where:
bonds (distance) C4'-P energy: -74.932
bonds (distance) P-C4' energy: -68.900
flat angles C4'-P-C4' energy: -64.749
flat angles P-C4'-P energy: -56.206
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1802.679640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.679640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.679640 (E_RNA)
where:
Base-Base interactions energy: -1236.433
where: short stacking energy: -532.898
Base-Backbone interact. energy: -1.642
local terms energy: -564.604852
where:
bonds (distance) C4'-P energy: -101.833
bonds (distance) P-C4' energy: -103.481
flat angles C4'-P-C4' energy: -119.092
flat angles P-C4'-P energy: -82.917
tors. eta vs tors. theta energy: -157.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1726.126088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.126088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.126088 (E_RNA)
where:
Base-Base interactions energy: -1191.886
where: short stacking energy: -499.815
Base-Backbone interact. energy: -0.947
local terms energy: -533.293777
where:
bonds (distance) C4'-P energy: -105.245
bonds (distance) P-C4' energy: -104.084
flat angles C4'-P-C4' energy: -111.876
flat angles P-C4'-P energy: -66.888
tors. eta vs tors. theta energy: -145.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1616.709763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.709763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.709763 (E_RNA)
where:
Base-Base interactions energy: -1106.114
where: short stacking energy: -457.146
Base-Backbone interact. energy: -2.243
local terms energy: -508.352677
where:
bonds (distance) C4'-P energy: -87.830
bonds (distance) P-C4' energy: -103.465
flat angles C4'-P-C4' energy: -111.738
flat angles P-C4'-P energy: -80.890
tors. eta vs tors. theta energy: -124.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1529.564793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.564793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.564793 (E_RNA)
where:
Base-Base interactions energy: -1029.835
where: short stacking energy: -450.975
Base-Backbone interact. energy: -2.689
local terms energy: -497.040547
where:
bonds (distance) C4'-P energy: -92.397
bonds (distance) P-C4' energy: -100.340
flat angles C4'-P-C4' energy: -105.382
flat angles P-C4'-P energy: -74.323
tors. eta vs tors. theta energy: -124.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1382.867055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.867055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.867055 (E_RNA)
where:
Base-Base interactions energy: -892.564
where: short stacking energy: -406.744
Base-Backbone interact. energy: -3.736
local terms energy: -486.566713
where:
bonds (distance) C4'-P energy: -95.129
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -95.844
flat angles P-C4'-P energy: -82.163
tors. eta vs tors. theta energy: -112.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1310.166596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.166596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.166596 (E_RNA)
where:
Base-Base interactions energy: -865.782
where: short stacking energy: -385.957
Base-Backbone interact. energy: 2.939
local terms energy: -447.324209
where:
bonds (distance) C4'-P energy: -93.208
bonds (distance) P-C4' energy: -88.019
flat angles C4'-P-C4' energy: -96.982
flat angles P-C4'-P energy: -64.354
tors. eta vs tors. theta energy: -104.761
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: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1053.872584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.872584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.872584 (E_RNA)
where:
Base-Base interactions energy: -703.487
where: short stacking energy: -321.224
Base-Backbone interact. energy: -0.773
local terms energy: -349.613287
where:
bonds (distance) C4'-P energy: -82.541
bonds (distance) P-C4' energy: -66.681
flat angles C4'-P-C4' energy: -80.228
flat angles P-C4'-P energy: -45.607
tors. eta vs tors. theta energy: -74.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -856.951656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.951656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.951656 (E_RNA)
where:
Base-Base interactions energy: -511.749
where: short stacking energy: -262.930
Base-Backbone interact. energy: -1.188
local terms energy: -344.014902
where:
bonds (distance) C4'-P energy: -91.154
bonds (distance) P-C4' energy: -75.072
flat angles C4'-P-C4' energy: -93.301
flat angles P-C4'-P energy: -53.766
tors. eta vs tors. theta energy: -30.722
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: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -760.303370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.303370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.303370 (E_RNA)
where:
Base-Base interactions energy: -416.164
where: short stacking energy: -219.502
Base-Backbone interact. energy: 2.905
local terms energy: -347.044236
where:
bonds (distance) C4'-P energy: -81.353
bonds (distance) P-C4' energy: -96.594
flat angles C4'-P-C4' energy: -88.272
flat angles P-C4'-P energy: -51.858
tors. eta vs tors. theta energy: -28.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -560.637966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.637966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.637966 (E_RNA)
where:
Base-Base interactions energy: -281.291
where: short stacking energy: -166.378
Base-Backbone interact. energy: -2.910
local terms energy: -276.437317
where:
bonds (distance) C4'-P energy: -67.987
bonds (distance) P-C4' energy: -87.493
flat angles C4'-P-C4' energy: -70.772
flat angles P-C4'-P energy: -40.639
tors. eta vs tors. theta energy: -9.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1819.508367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.508367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.508367 (E_RNA)
where:
Base-Base interactions energy: -1239.883
where: short stacking energy: -540.392
Base-Backbone interact. energy: -2.100
local terms energy: -577.525284
where:
bonds (distance) C4'-P energy: -92.426
bonds (distance) P-C4' energy: -116.800
flat angles C4'-P-C4' energy: -117.798
flat angles P-C4'-P energy: -82.532
tors. eta vs tors. theta energy: -167.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1710.766173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.766173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.766173 (E_RNA)
where:
Base-Base interactions energy: -1168.766
where: short stacking energy: -486.065
Base-Backbone interact. energy: -0.049
local terms energy: -541.951167
where:
bonds (distance) C4'-P energy: -106.462
bonds (distance) P-C4' energy: -105.351
flat angles C4'-P-C4' energy: -105.178
flat angles P-C4'-P energy: -79.344
tors. eta vs tors. theta energy: -145.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1595.924685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.924685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.924685 (E_RNA)
where:
Base-Base interactions energy: -1092.658
where: short stacking energy: -458.544
Base-Backbone interact. energy: -3.666
local terms energy: -499.600367
where:
bonds (distance) C4'-P energy: -87.416
bonds (distance) P-C4' energy: -105.329
flat angles C4'-P-C4' energy: -103.031
flat angles P-C4'-P energy: -70.020
tors. eta vs tors. theta energy: -133.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1520.038210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.038210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.038210 (E_RNA)
where:
Base-Base interactions energy: -1022.254
where: short stacking energy: -449.275
Base-Backbone interact. energy: 0.751
local terms energy: -498.535323
where:
bonds (distance) C4'-P energy: -95.785
bonds (distance) P-C4' energy: -109.092
flat angles C4'-P-C4' energy: -104.605
flat angles P-C4'-P energy: -70.556
tors. eta vs tors. theta energy: -118.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1371.617267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.617267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.617267 (E_RNA)
where:
Base-Base interactions energy: -902.486
where: short stacking energy: -418.775
Base-Backbone interact. energy: -0.273
local terms energy: -468.857777
where:
bonds (distance) C4'-P energy: -89.514
bonds (distance) P-C4' energy: -100.609
flat angles C4'-P-C4' energy: -109.713
flat angles P-C4'-P energy: -57.168
tors. eta vs tors. theta energy: -111.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1294.605155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.605155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.605155 (E_RNA)
where:
Base-Base interactions energy: -864.274
where: short stacking energy: -361.481
Base-Backbone interact. energy: 1.172
local terms energy: -431.503313
where:
bonds (distance) C4'-P energy: -81.339
bonds (distance) P-C4' energy: -98.899
flat angles C4'-P-C4' energy: -90.519
flat angles P-C4'-P energy: -67.606
tors. eta vs tors. theta energy: -93.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -993.563622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.563622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.563622 (E_RNA)
where:
Base-Base interactions energy: -626.319
where: short stacking energy: -303.548
Base-Backbone interact. energy: -1.497
local terms energy: -365.747655
where:
bonds (distance) C4'-P energy: -74.362
bonds (distance) P-C4' energy: -93.569
flat angles C4'-P-C4' energy: -83.280
flat angles P-C4'-P energy: -56.351
tors. eta vs tors. theta energy: -58.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -769.996046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.996046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.996046 (E_RNA)
where:
Base-Base interactions energy: -424.504
where: short stacking energy: -224.318
Base-Backbone interact. energy: 1.415
local terms energy: -346.906161
where:
bonds (distance) C4'-P energy: -84.134
bonds (distance) P-C4' energy: -93.376
flat angles C4'-P-C4' energy: -80.139
flat angles P-C4'-P energy: -59.883
tors. eta vs tors. theta energy: -29.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -816.953898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.953898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.953898 (E_RNA)
where:
Base-Base interactions energy: -492.627
where: short stacking energy: -235.683
Base-Backbone interact. energy: 1.193
local terms energy: -325.520565
where:
bonds (distance) C4'-P energy: -81.959
bonds (distance) P-C4' energy: -82.993
flat angles C4'-P-C4' energy: -75.898
flat angles P-C4'-P energy: -59.599
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -526.024977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.024977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.024977 (E_RNA)
where:
Base-Base interactions energy: -237.498
where: short stacking energy: -138.888
Base-Backbone interact. energy: -0.644
local terms energy: -287.883474
where:
bonds (distance) C4'-P energy: -89.131
bonds (distance) P-C4' energy: -84.798
flat angles C4'-P-C4' energy: -79.386
flat angles P-C4'-P energy: -41.017
tors. eta vs tors. theta energy: 6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1793.505343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.505343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.505343 (E_RNA)
where:
Base-Base interactions energy: -1234.699
where: short stacking energy: -518.358
Base-Backbone interact. energy: 1.759
local terms energy: -560.565179
where:
bonds (distance) C4'-P energy: -103.617
bonds (distance) P-C4' energy: -109.242
flat angles C4'-P-C4' energy: -118.239
flat angles P-C4'-P energy: -73.771
tors. eta vs tors. theta energy: -155.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1692.284978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.284978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.284978 (E_RNA)
where:
Base-Base interactions energy: -1157.039
where: short stacking energy: -483.810
Base-Backbone interact. energy: -3.526
local terms energy: -531.720083
where:
bonds (distance) C4'-P energy: -106.603
bonds (distance) P-C4' energy: -94.280
flat angles C4'-P-C4' energy: -114.360
flat angles P-C4'-P energy: -71.550
tors. eta vs tors. theta energy: -144.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1591.457533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.457533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.457533 (E_RNA)
where:
Base-Base interactions energy: -1073.235
where: short stacking energy: -459.538
Base-Backbone interact. energy: -3.761
local terms energy: -514.460949
where:
bonds (distance) C4'-P energy: -109.031
bonds (distance) P-C4' energy: -92.152
flat angles C4'-P-C4' energy: -111.654
flat angles P-C4'-P energy: -65.342
tors. eta vs tors. theta energy: -136.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1549.203482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.203482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.203482 (E_RNA)
where:
Base-Base interactions energy: -1056.079
where: short stacking energy: -455.121
Base-Backbone interact. energy: 2.223
local terms energy: -495.347662
where:
bonds (distance) C4'-P energy: -83.861
bonds (distance) P-C4' energy: -108.356
flat angles C4'-P-C4' energy: -95.104
flat angles P-C4'-P energy: -65.284
tors. eta vs tors. theta energy: -142.743
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: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1369.904202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.904202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.904202 (E_RNA)
where:
Base-Base interactions energy: -911.148
where: short stacking energy: -400.904
Base-Backbone interact. energy: -0.309
local terms energy: -458.447473
where:
bonds (distance) C4'-P energy: -89.885
bonds (distance) P-C4' energy: -91.408
flat angles C4'-P-C4' energy: -105.064
flat angles P-C4'-P energy: -53.260
tors. eta vs tors. theta energy: -118.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1243.719714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.719714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.719714 (E_RNA)
where:
Base-Base interactions energy: -825.709
where: short stacking energy: -337.668
Base-Backbone interact. energy: 0.205
local terms energy: -418.215364
where:
bonds (distance) C4'-P energy: -85.147
bonds (distance) P-C4' energy: -87.037
flat angles C4'-P-C4' energy: -94.747
flat angles P-C4'-P energy: -65.900
tors. eta vs tors. theta energy: -85.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1011.809091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.809091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.809091 (E_RNA)
where:
Base-Base interactions energy: -623.639
where: short stacking energy: -274.581
Base-Backbone interact. energy: 0.861
local terms energy: -389.030581
where:
bonds (distance) C4'-P energy: -89.581
bonds (distance) P-C4' energy: -85.607
flat angles C4'-P-C4' energy: -97.829
flat angles P-C4'-P energy: -55.336
tors. eta vs tors. theta energy: -60.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -805.021843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.021843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.021843 (E_RNA)
where:
Base-Base interactions energy: -451.875
where: short stacking energy: -225.701
Base-Backbone interact. energy: 0.058
local terms energy: -353.205046
where:
bonds (distance) C4'-P energy: -99.365
bonds (distance) P-C4' energy: -81.177
flat angles C4'-P-C4' energy: -77.666
flat angles P-C4'-P energy: -64.682
tors. eta vs tors. theta energy: -30.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -804.736379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.736379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.736379 (E_RNA)
where:
Base-Base interactions energy: -472.759
where: short stacking energy: -240.961
Base-Backbone interact. energy: 0.531
local terms energy: -332.508635
where:
bonds (distance) C4'-P energy: -90.572
bonds (distance) P-C4' energy: -83.635
flat angles C4'-P-C4' energy: -71.523
flat angles P-C4'-P energy: -53.855
tors. eta vs tors. theta energy: -32.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -555.032040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.032040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.032040 (E_RNA)
where:
Base-Base interactions energy: -279.058
where: short stacking energy: -169.368
Base-Backbone interact. energy: 3.561
local terms energy: -279.535129
where:
bonds (distance) C4'-P energy: -74.285
bonds (distance) P-C4' energy: -90.202
flat angles C4'-P-C4' energy: -68.024
flat angles P-C4'-P energy: -43.577
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1797.707538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.707538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.707538 (E_RNA)
where:
Base-Base interactions energy: -1231.035
where: short stacking energy: -517.508
Base-Backbone interact. energy: -4.015
local terms energy: -562.658313
where:
bonds (distance) C4'-P energy: -98.314
bonds (distance) P-C4' energy: -110.584
flat angles C4'-P-C4' energy: -115.422
flat angles P-C4'-P energy: -76.675
tors. eta vs tors. theta energy: -161.663
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: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1712.504103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.504103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.504103 (E_RNA)
where:
Base-Base interactions energy: -1171.813
where: short stacking energy: -477.892
Base-Backbone interact. energy: -1.044
local terms energy: -539.647699
where:
bonds (distance) C4'-P energy: -99.601
bonds (distance) P-C4' energy: -95.549
flat angles C4'-P-C4' energy: -114.968
flat angles P-C4'-P energy: -73.102
tors. eta vs tors. theta energy: -156.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1585.032981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.032981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.032981 (E_RNA)
where:
Base-Base interactions energy: -1080.494
where: short stacking energy: -458.248
Base-Backbone interact. energy: 2.852
local terms energy: -507.390148
where:
bonds (distance) C4'-P energy: -113.666
bonds (distance) P-C4' energy: -102.279
flat angles C4'-P-C4' energy: -101.545
flat angles P-C4'-P energy: -59.757
tors. eta vs tors. theta energy: -130.143
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: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1504.481032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.481032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.481032 (E_RNA)
where:
Base-Base interactions energy: -994.083
where: short stacking energy: -461.379
Base-Backbone interact. energy: -1.404
local terms energy: -508.994403
where:
bonds (distance) C4'-P energy: -106.752
bonds (distance) P-C4' energy: -101.236
flat angles C4'-P-C4' energy: -104.050
flat angles P-C4'-P energy: -60.679
tors. eta vs tors. theta energy: -136.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1358.401431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.401431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.401431 (E_RNA)
where:
Base-Base interactions energy: -888.879
where: short stacking energy: -378.367
Base-Backbone interact. energy: 0.008
local terms energy: -469.530658
where:
bonds (distance) C4'-P energy: -89.621
bonds (distance) P-C4' energy: -91.537
flat angles C4'-P-C4' energy: -108.171
flat angles P-C4'-P energy: -73.765
tors. eta vs tors. theta energy: -106.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1207.422756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.422756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.422756 (E_RNA)
where:
Base-Base interactions energy: -806.054
where: short stacking energy: -353.179
Base-Backbone interact. energy: -3.997
local terms energy: -397.371675
where:
bonds (distance) C4'-P energy: -79.723
bonds (distance) P-C4' energy: -83.189
flat angles C4'-P-C4' energy: -92.421
flat angles P-C4'-P energy: -51.884
tors. eta vs tors. theta energy: -90.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1034.994282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.994282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.994282 (E_RNA)
where:
Base-Base interactions energy: -628.590
where: short stacking energy: -324.020
Base-Backbone interact. energy: 0.399
local terms energy: -406.802931
where:
bonds (distance) C4'-P energy: -79.372
bonds (distance) P-C4' energy: -91.776
flat angles C4'-P-C4' energy: -105.532
flat angles P-C4'-P energy: -47.270
tors. eta vs tors. theta energy: -82.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -811.128832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.128832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.128832 (E_RNA)
where:
Base-Base interactions energy: -441.247
where: short stacking energy: -219.924
Base-Backbone interact. energy: -0.010
local terms energy: -369.871282
where:
bonds (distance) C4'-P energy: -97.603
bonds (distance) P-C4' energy: -81.551
flat angles C4'-P-C4' energy: -83.034
flat angles P-C4'-P energy: -59.266
tors. eta vs tors. theta energy: -48.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -731.883677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.883677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.883677 (E_RNA)
where:
Base-Base interactions energy: -410.669
where: short stacking energy: -209.149
Base-Backbone interact. energy: -0.677
local terms energy: -320.537955
where:
bonds (distance) C4'-P energy: -82.311
bonds (distance) P-C4' energy: -98.673
flat angles C4'-P-C4' energy: -71.351
flat angles P-C4'-P energy: -33.099
tors. eta vs tors. theta energy: -35.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -567.526694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.526694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.526694 (E_RNA)
where:
Base-Base interactions energy: -290.386
where: short stacking energy: -158.196
Base-Backbone interact. energy: 0.221
local terms energy: -277.361506
where:
bonds (distance) C4'-P energy: -80.112
bonds (distance) P-C4' energy: -88.365
flat angles C4'-P-C4' energy: -68.810
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1758.884972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.884972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.884972 (E_RNA)
where:
Base-Base interactions energy: -1203.459
where: short stacking energy: -505.617
Base-Backbone interact. energy: 1.002
local terms energy: -556.427804
where:
bonds (distance) C4'-P energy: -105.239
bonds (distance) P-C4' energy: -104.422
flat angles C4'-P-C4' energy: -113.712
flat angles P-C4'-P energy: -83.461
tors. eta vs tors. theta energy: -149.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1737.366791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.366791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.366791 (E_RNA)
where:
Base-Base interactions energy: -1183.885
where: short stacking energy: -498.768
Base-Backbone interact. energy: -2.157
local terms energy: -551.325004
where:
bonds (distance) C4'-P energy: -110.733
bonds (distance) P-C4' energy: -99.411
flat angles C4'-P-C4' energy: -113.893
flat angles P-C4'-P energy: -73.062
tors. eta vs tors. theta energy: -154.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1566.920703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.920703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.920703 (E_RNA)
where:
Base-Base interactions energy: -1039.124
where: short stacking energy: -438.881
Base-Backbone interact. energy: -3.689
local terms energy: -524.107800
where:
bonds (distance) C4'-P energy: -94.257
bonds (distance) P-C4' energy: -117.900
flat angles C4'-P-C4' energy: -110.800
flat angles P-C4'-P energy: -74.085
tors. eta vs tors. theta energy: -127.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1484.456554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.456554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.456554 (E_RNA)
where:
Base-Base interactions energy: -986.430
where: short stacking energy: -429.726
Base-Backbone interact. energy: -1.845
local terms energy: -496.181588
where:
bonds (distance) C4'-P energy: -95.843
bonds (distance) P-C4' energy: -92.839
flat angles C4'-P-C4' energy: -113.463
flat angles P-C4'-P energy: -61.685
tors. eta vs tors. theta energy: -132.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1363.703762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.703762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.703762 (E_RNA)
where:
Base-Base interactions energy: -908.258
where: short stacking energy: -414.347
Base-Backbone interact. energy: -0.268
local terms energy: -455.177793
where:
bonds (distance) C4'-P energy: -88.427
bonds (distance) P-C4' energy: -91.732
flat angles C4'-P-C4' energy: -100.321
flat angles P-C4'-P energy: -69.382
tors. eta vs tors. theta energy: -105.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1272.151521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.151521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.151521 (E_RNA)
where:
Base-Base interactions energy: -846.274
where: short stacking energy: -372.112
Base-Backbone interact. energy: -3.719
local terms energy: -422.157749
where:
bonds (distance) C4'-P energy: -95.932
bonds (distance) P-C4' energy: -79.924
flat angles C4'-P-C4' energy: -88.600
flat angles P-C4'-P energy: -65.627
tors. eta vs tors. theta energy: -92.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1047.722696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.722696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.722696 (E_RNA)
where:
Base-Base interactions energy: -657.577
where: short stacking energy: -302.436
Base-Backbone interact. energy: -0.912
local terms energy: -389.233749
where:
bonds (distance) C4'-P energy: -71.680
bonds (distance) P-C4' energy: -91.721
flat angles C4'-P-C4' energy: -78.157
flat angles P-C4'-P energy: -67.353
tors. eta vs tors. theta energy: -80.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -790.849314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.849314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.849314 (E_RNA)
where:
Base-Base interactions energy: -439.713
where: short stacking energy: -231.295
Base-Backbone interact. energy: -2.294
local terms energy: -348.842481
where:
bonds (distance) C4'-P energy: -94.086
bonds (distance) P-C4' energy: -94.906
flat angles C4'-P-C4' energy: -71.338
flat angles P-C4'-P energy: -55.303
tors. eta vs tors. theta energy: -33.209
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: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -730.760711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.760711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.760711 (E_RNA)
where:
Base-Base interactions energy: -404.147
where: short stacking energy: -207.459
Base-Backbone interact. energy: 0.897
local terms energy: -327.511293
where:
bonds (distance) C4'-P energy: -92.954
bonds (distance) P-C4' energy: -77.022
flat angles C4'-P-C4' energy: -88.524
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -593.059180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.059180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.059180 (E_RNA)
where:
Base-Base interactions energy: -283.941
where: short stacking energy: -172.155
Base-Backbone interact. energy: -1.297
local terms energy: -307.821251
where:
bonds (distance) C4'-P energy: -84.174
bonds (distance) P-C4' energy: -80.331
flat angles C4'-P-C4' energy: -83.493
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1775.651516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.651516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.651516 (E_RNA)
where:
Base-Base interactions energy: -1229.001
where: short stacking energy: -482.776
Base-Backbone interact. energy: -2.192
local terms energy: -544.458320
where:
bonds (distance) C4'-P energy: -103.076
bonds (distance) P-C4' energy: -97.847
flat angles C4'-P-C4' energy: -116.163
flat angles P-C4'-P energy: -82.169
tors. eta vs tors. theta energy: -145.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1742.237604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.237604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.237604 (E_RNA)
where:
Base-Base interactions energy: -1182.105
where: short stacking energy: -509.950
Base-Backbone interact. energy: -1.210
local terms energy: -558.923025
where:
bonds (distance) C4'-P energy: -107.537
bonds (distance) P-C4' energy: -100.160
flat angles C4'-P-C4' energy: -112.468
flat angles P-C4'-P energy: -73.294
tors. eta vs tors. theta energy: -165.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1562.251271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.251271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.251271 (E_RNA)
where:
Base-Base interactions energy: -1055.370
where: short stacking energy: -462.040
Base-Backbone interact. energy: -3.146
local terms energy: -503.735093
where:
bonds (distance) C4'-P energy: -94.774
bonds (distance) P-C4' energy: -98.485
flat angles C4'-P-C4' energy: -103.002
flat angles P-C4'-P energy: -80.375
tors. eta vs tors. theta energy: -127.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1508.132817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.132817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.132817 (E_RNA)
where:
Base-Base interactions energy: -1001.063
where: short stacking energy: -448.042
Base-Backbone interact. energy: -0.206
local terms energy: -506.863748
where:
bonds (distance) C4'-P energy: -93.546
bonds (distance) P-C4' energy: -85.070
flat angles C4'-P-C4' energy: -114.531
flat angles P-C4'-P energy: -79.195
tors. eta vs tors. theta energy: -134.522
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: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1398.850175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.850175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.850175 (E_RNA)
where:
Base-Base interactions energy: -928.005
where: short stacking energy: -435.919
Base-Backbone interact. energy: -1.586
local terms energy: -469.259076
where:
bonds (distance) C4'-P energy: -80.223
bonds (distance) P-C4' energy: -93.928
flat angles C4'-P-C4' energy: -101.311
flat angles P-C4'-P energy: -72.842
tors. eta vs tors. theta energy: -120.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1280.616351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.616351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.616351 (E_RNA)
where:
Base-Base interactions energy: -812.713
where: short stacking energy: -366.038
Base-Backbone interact. energy: -1.729
local terms energy: -466.174542
where:
bonds (distance) C4'-P energy: -90.427
bonds (distance) P-C4' energy: -102.693
flat angles C4'-P-C4' energy: -97.524
flat angles P-C4'-P energy: -72.168
tors. eta vs tors. theta energy: -103.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1052.429215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.429215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.429215 (E_RNA)
where:
Base-Base interactions energy: -684.906
where: short stacking energy: -297.389
Base-Backbone interact. energy: 6.183
local terms energy: -373.706559
where:
bonds (distance) C4'-P energy: -68.916
bonds (distance) P-C4' energy: -89.179
flat angles C4'-P-C4' energy: -85.854
flat angles P-C4'-P energy: -59.208
tors. eta vs tors. theta energy: -70.549
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: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -794.867446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.867446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.867446 (E_RNA)
where:
Base-Base interactions energy: -455.404
where: short stacking energy: -218.717
Base-Backbone interact. energy: -2.298
local terms energy: -337.164715
where:
bonds (distance) C4'-P energy: -83.396
bonds (distance) P-C4' energy: -92.107
flat angles C4'-P-C4' energy: -80.282
flat angles P-C4'-P energy: -55.276
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -747.881622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.881622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.881622 (E_RNA)
where:
Base-Base interactions energy: -423.897
where: short stacking energy: -204.409
Base-Backbone interact. energy: 2.780
local terms energy: -326.764873
where:
bonds (distance) C4'-P energy: -89.855
bonds (distance) P-C4' energy: -84.367
flat angles C4'-P-C4' energy: -91.919
flat angles P-C4'-P energy: -42.448
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -572.124869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.124869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.124869 (E_RNA)
where:
Base-Base interactions energy: -261.435
where: short stacking energy: -148.219
Base-Backbone interact. energy: -1.019
local terms energy: -309.671157
where:
bonds (distance) C4'-P energy: -87.767
bonds (distance) P-C4' energy: -94.727
flat angles C4'-P-C4' energy: -64.473
flat angles P-C4'-P energy: -59.834
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1754.318389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.318389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.318389 (E_RNA)
where:
Base-Base interactions energy: -1204.315
where: short stacking energy: -507.515
Base-Backbone interact. energy: -0.459
local terms energy: -549.544476
where:
bonds (distance) C4'-P energy: -100.538
bonds (distance) P-C4' energy: -107.178
flat angles C4'-P-C4' energy: -117.340
flat angles P-C4'-P energy: -70.019
tors. eta vs tors. theta energy: -154.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1724.267672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.267672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.267672 (E_RNA)
where:
Base-Base interactions energy: -1183.072
where: short stacking energy: -508.990
Base-Backbone interact. energy: -1.923
local terms energy: -539.272923
where:
bonds (distance) C4'-P energy: -104.358
bonds (distance) P-C4' energy: -104.056
flat angles C4'-P-C4' energy: -106.992
flat angles P-C4'-P energy: -79.726
tors. eta vs tors. theta energy: -144.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1590.366193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.366193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.366193 (E_RNA)
where:
Base-Base interactions energy: -1082.167
where: short stacking energy: -452.361
Base-Backbone interact. energy: -2.441
local terms energy: -505.757636
where:
bonds (distance) C4'-P energy: -89.323
bonds (distance) P-C4' energy: -107.822
flat angles C4'-P-C4' energy: -117.399
flat angles P-C4'-P energy: -67.675
tors. eta vs tors. theta energy: -123.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1508.160767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.160767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.160767 (E_RNA)
where:
Base-Base interactions energy: -1025.806
where: short stacking energy: -449.229
Base-Backbone interact. energy: -1.239
local terms energy: -481.116142
where:
bonds (distance) C4'-P energy: -78.793
bonds (distance) P-C4' energy: -94.886
flat angles C4'-P-C4' energy: -107.685
flat angles P-C4'-P energy: -73.745
tors. eta vs tors. theta energy: -126.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1396.077845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.077845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.077845 (E_RNA)
where:
Base-Base interactions energy: -920.783
where: short stacking energy: -390.400
Base-Backbone interact. energy: -1.467
local terms energy: -473.827845
where:
bonds (distance) C4'-P energy: -86.280
bonds (distance) P-C4' energy: -97.721
flat angles C4'-P-C4' energy: -107.422
flat angles P-C4'-P energy: -60.715
tors. eta vs tors. theta energy: -121.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1256.188185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.188185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.188185 (E_RNA)
where:
Base-Base interactions energy: -805.203
where: short stacking energy: -339.649
Base-Backbone interact. energy: -1.007
local terms energy: -449.977897
where:
bonds (distance) C4'-P energy: -101.104
bonds (distance) P-C4' energy: -103.524
flat angles C4'-P-C4' energy: -97.681
flat angles P-C4'-P energy: -51.780
tors. eta vs tors. theta energy: -95.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1046.305034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.305034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.305034 (E_RNA)
where:
Base-Base interactions energy: -623.790
where: short stacking energy: -292.029
Base-Backbone interact. energy: -0.097
local terms energy: -422.417216
where:
bonds (distance) C4'-P energy: -97.696
bonds (distance) P-C4' energy: -93.016
flat angles C4'-P-C4' energy: -95.284
flat angles P-C4'-P energy: -64.061
tors. eta vs tors. theta energy: -72.360
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: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -814.705316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.705316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.705316 (E_RNA)
where:
Base-Base interactions energy: -474.077
where: short stacking energy: -242.444
Base-Backbone interact. energy: 0.488
local terms energy: -341.116548
where:
bonds (distance) C4'-P energy: -78.658
bonds (distance) P-C4' energy: -83.700
flat angles C4'-P-C4' energy: -90.343
flat angles P-C4'-P energy: -46.823
tors. eta vs tors. theta energy: -41.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -717.998394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.998394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.998394 (E_RNA)
where:
Base-Base interactions energy: -398.834
where: short stacking energy: -204.486
Base-Backbone interact. energy: 2.079
local terms energy: -321.243522
where:
bonds (distance) C4'-P energy: -95.981
bonds (distance) P-C4' energy: -81.438
flat angles C4'-P-C4' energy: -64.458
flat angles P-C4'-P energy: -55.977
tors. eta vs tors. theta energy: -23.390
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: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -512.508317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.508317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.508317 (E_RNA)
where:
Base-Base interactions energy: -266.169
where: short stacking energy: -156.926
Base-Backbone interact. energy: -0.765
local terms energy: -245.574208
where:
bonds (distance) C4'-P energy: -65.592
bonds (distance) P-C4' energy: -89.121
flat angles C4'-P-C4' energy: -68.123
flat angles P-C4'-P energy: -21.464
tors. eta vs tors. theta energy: -1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1761.638751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.638751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.638751 (E_RNA)
where:
Base-Base interactions energy: -1232.238
where: short stacking energy: -498.345
Base-Backbone interact. energy: -2.254
local terms energy: -527.147374
where:
bonds (distance) C4'-P energy: -92.183
bonds (distance) P-C4' energy: -106.834
flat angles C4'-P-C4' energy: -109.087
flat angles P-C4'-P energy: -64.448
tors. eta vs tors. theta energy: -154.596
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: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1758.650543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.650543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.650543 (E_RNA)
where:
Base-Base interactions energy: -1204.443
where: short stacking energy: -520.987
Base-Backbone interact. energy: -3.854
local terms energy: -550.353893
where:
bonds (distance) C4'-P energy: -89.283
bonds (distance) P-C4' energy: -101.628
flat angles C4'-P-C4' energy: -117.367
flat angles P-C4'-P energy: -81.767
tors. eta vs tors. theta energy: -160.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1596.895326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.895326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.895326 (E_RNA)
where:
Base-Base interactions energy: -1101.673
where: short stacking energy: -474.132
Base-Backbone interact. energy: -3.626
local terms energy: -491.596502
where:
bonds (distance) C4'-P energy: -81.835
bonds (distance) P-C4' energy: -93.056
flat angles C4'-P-C4' energy: -103.405
flat angles P-C4'-P energy: -78.428
tors. eta vs tors. theta energy: -134.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1505.533917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.533917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.533917 (E_RNA)
where:
Base-Base interactions energy: -1017.551
where: short stacking energy: -444.948
Base-Backbone interact. energy: -2.511
local terms energy: -485.472071
where:
bonds (distance) C4'-P energy: -82.567
bonds (distance) P-C4' energy: -101.366
flat angles C4'-P-C4' energy: -105.361
flat angles P-C4'-P energy: -68.431
tors. eta vs tors. theta energy: -127.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1342.453804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.453804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.453804 (E_RNA)
where:
Base-Base interactions energy: -894.147
where: short stacking energy: -395.120
Base-Backbone interact. energy: -0.159
local terms energy: -448.147609
where:
bonds (distance) C4'-P energy: -93.758
bonds (distance) P-C4' energy: -95.573
flat angles C4'-P-C4' energy: -99.281
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -104.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1218.674882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.674882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.674882 (E_RNA)
where:
Base-Base interactions energy: -816.932
where: short stacking energy: -350.523
Base-Backbone interact. energy: 0.956
local terms energy: -402.698864
where:
bonds (distance) C4'-P energy: -83.365
bonds (distance) P-C4' energy: -88.706
flat angles C4'-P-C4' energy: -93.580
flat angles P-C4'-P energy: -48.836
tors. eta vs tors. theta energy: -88.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1101.503449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.503449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.503449 (E_RNA)
where:
Base-Base interactions energy: -710.013
where: short stacking energy: -313.374
Base-Backbone interact. energy: 2.198
local terms energy: -393.688883
where:
bonds (distance) C4'-P energy: -100.343
bonds (distance) P-C4' energy: -87.404
flat angles C4'-P-C4' energy: -90.253
flat angles P-C4'-P energy: -53.223
tors. eta vs tors. theta energy: -62.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -836.282738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.282738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.282738 (E_RNA)
where:
Base-Base interactions energy: -500.726
where: short stacking energy: -253.188
Base-Backbone interact. energy: 2.858
local terms energy: -338.414759
where:
bonds (distance) C4'-P energy: -86.081
bonds (distance) P-C4' energy: -86.767
flat angles C4'-P-C4' energy: -74.636
flat angles P-C4'-P energy: -51.272
tors. eta vs tors. theta energy: -39.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -768.018857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.018857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.018857 (E_RNA)
where:
Base-Base interactions energy: -427.617
where: short stacking energy: -203.681
Base-Backbone interact. energy: -4.136
local terms energy: -336.265733
where:
bonds (distance) C4'-P energy: -80.498
bonds (distance) P-C4' energy: -107.056
flat angles C4'-P-C4' energy: -80.148
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -32.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -527.387062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.387062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.387062 (E_RNA)
where:
Base-Base interactions energy: -273.647
where: short stacking energy: -138.902
Base-Backbone interact. energy: 1.330
local terms energy: -255.070343
where:
bonds (distance) C4'-P energy: -86.859
bonds (distance) P-C4' energy: -75.948
flat angles C4'-P-C4' energy: -57.655
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: 6.310
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: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1774.441957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.441957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.441957 (E_RNA)
where:
Base-Base interactions energy: -1219.020
where: short stacking energy: -511.085
Base-Backbone interact. energy: -2.419
local terms energy: -553.002759
where:
bonds (distance) C4'-P energy: -91.356
bonds (distance) P-C4' energy: -105.485
flat angles C4'-P-C4' energy: -118.476
flat angles P-C4'-P energy: -86.782
tors. eta vs tors. theta energy: -150.904
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: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1763.188807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.188807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.188807 (E_RNA)
where:
Base-Base interactions energy: -1215.835
where: short stacking energy: -523.883
Base-Backbone interact. energy: 1.265
local terms energy: -548.618943
where:
bonds (distance) C4'-P energy: -93.710
bonds (distance) P-C4' energy: -108.794
flat angles C4'-P-C4' energy: -107.051
flat angles P-C4'-P energy: -83.091
tors. eta vs tors. theta energy: -155.973
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: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1574.790037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.790037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.790037 (E_RNA)
where:
Base-Base interactions energy: -1058.559
where: short stacking energy: -465.812
Base-Backbone interact. energy: -0.445
local terms energy: -515.786127
where:
bonds (distance) C4'-P energy: -88.446
bonds (distance) P-C4' energy: -107.185
flat angles C4'-P-C4' energy: -112.682
flat angles P-C4'-P energy: -73.554
tors. eta vs tors. theta energy: -133.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1551.893211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.893211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.893211 (E_RNA)
where:
Base-Base interactions energy: -1055.719
where: short stacking energy: -442.830
Base-Backbone interact. energy: -4.346
local terms energy: -491.828469
where:
bonds (distance) C4'-P energy: -98.024
bonds (distance) P-C4' energy: -92.594
flat angles C4'-P-C4' energy: -99.638
flat angles P-C4'-P energy: -78.733
tors. eta vs tors. theta energy: -122.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1378.166749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.166749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.166749 (E_RNA)
where:
Base-Base interactions energy: -903.760
where: short stacking energy: -413.552
Base-Backbone interact. energy: -0.001
local terms energy: -474.405275
where:
bonds (distance) C4'-P energy: -88.815
bonds (distance) P-C4' energy: -90.081
flat angles C4'-P-C4' energy: -115.863
flat angles P-C4'-P energy: -63.423
tors. eta vs tors. theta energy: -116.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1254.284537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.284537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.284537 (E_RNA)
where:
Base-Base interactions energy: -841.380
where: short stacking energy: -376.871
Base-Backbone interact. energy: -1.022
local terms energy: -411.882600
where:
bonds (distance) C4'-P energy: -93.911
bonds (distance) P-C4' energy: -86.472
flat angles C4'-P-C4' energy: -91.652
flat angles P-C4'-P energy: -53.753
tors. eta vs tors. theta energy: -86.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1077.163670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.163670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.163670 (E_RNA)
where:
Base-Base interactions energy: -701.277
where: short stacking energy: -318.572
Base-Backbone interact. energy: -0.754
local terms energy: -375.133074
where:
bonds (distance) C4'-P energy: -74.831
bonds (distance) P-C4' energy: -90.567
flat angles C4'-P-C4' energy: -88.996
flat angles P-C4'-P energy: -48.916
tors. eta vs tors. theta energy: -71.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -834.194357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.194357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.194357 (E_RNA)
where:
Base-Base interactions energy: -495.570
where: short stacking energy: -233.779
Base-Backbone interact. energy: -2.228
local terms energy: -336.396517
where:
bonds (distance) C4'-P energy: -87.057
bonds (distance) P-C4' energy: -84.312
flat angles C4'-P-C4' energy: -85.062
flat angles P-C4'-P energy: -41.490
tors. eta vs tors. theta energy: -38.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -802.379871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.379871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.379871 (E_RNA)
where:
Base-Base interactions energy: -462.833
where: short stacking energy: -228.216
Base-Backbone interact. energy: 1.197
local terms energy: -340.744134
where:
bonds (distance) C4'-P energy: -91.426
bonds (distance) P-C4' energy: -86.120
flat angles C4'-P-C4' energy: -76.830
flat angles P-C4'-P energy: -32.625
tors. eta vs tors. theta energy: -53.743
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: 10, replica: 4
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -560.073999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.073999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.073999 (E_RNA)
where:
Base-Base interactions energy: -272.622
where: short stacking energy: -147.854
Base-Backbone interact. energy: -0.955
local terms energy: -286.497199
where:
bonds (distance) C4'-P energy: -86.519
bonds (distance) P-C4' energy: -78.252
flat angles C4'-P-C4' energy: -71.339
flat angles P-C4'-P energy: -38.997
tors. eta vs tors. theta energy: -11.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1753.426960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.426960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.426960 (E_RNA)
where:
Base-Base interactions energy: -1207.774
where: short stacking energy: -491.046
Base-Backbone interact. energy: -1.648
local terms energy: -544.005459
where:
bonds (distance) C4'-P energy: -97.832
bonds (distance) P-C4' energy: -109.785
flat angles C4'-P-C4' energy: -102.786
flat angles P-C4'-P energy: -81.754
tors. eta vs tors. theta energy: -151.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1748.819063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.819063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.819063 (E_RNA)
where:
Base-Base interactions energy: -1214.444
where: short stacking energy: -518.329
Base-Backbone interact. energy: -1.490
local terms energy: -532.885574
where:
bonds (distance) C4'-P energy: -100.937
bonds (distance) P-C4' energy: -98.555
flat angles C4'-P-C4' energy: -109.031
flat angles P-C4'-P energy: -63.892
tors. eta vs tors. theta energy: -160.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1536.397507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.397507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.397507 (E_RNA)
where:
Base-Base interactions energy: -1053.111
where: short stacking energy: -454.960
Base-Backbone interact. energy: -2.641
local terms energy: -480.645269
where:
bonds (distance) C4'-P energy: -89.089
bonds (distance) P-C4' energy: -95.443
flat angles C4'-P-C4' energy: -91.002
flat angles P-C4'-P energy: -77.978
tors. eta vs tors. theta energy: -127.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1549.576182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.576182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.576182 (E_RNA)
where:
Base-Base interactions energy: -1053.651
where: short stacking energy: -458.292
Base-Backbone interact. energy: 0.741
local terms energy: -496.665708
where:
bonds (distance) C4'-P energy: -101.840
bonds (distance) P-C4' energy: -96.479
flat angles C4'-P-C4' energy: -103.062
flat angles P-C4'-P energy: -70.907
tors. eta vs tors. theta energy: -124.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1342.309806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.309806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.309806 (E_RNA)
where:
Base-Base interactions energy: -892.828
where: short stacking energy: -405.726
Base-Backbone interact. energy: 0.284
local terms energy: -449.766029
where:
bonds (distance) C4'-P energy: -81.473
bonds (distance) P-C4' energy: -93.054
flat angles C4'-P-C4' energy: -96.757
flat angles P-C4'-P energy: -65.544
tors. eta vs tors. theta energy: -112.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1279.874821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.874821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.874821 (E_RNA)
where:
Base-Base interactions energy: -839.534
where: short stacking energy: -366.769
Base-Backbone interact. energy: -3.657
local terms energy: -436.683973
where:
bonds (distance) C4'-P energy: -87.739
bonds (distance) P-C4' energy: -84.925
flat angles C4'-P-C4' energy: -98.205
flat angles P-C4'-P energy: -70.491
tors. eta vs tors. theta energy: -95.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1093.242836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.242836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.242836 (E_RNA)
where:
Base-Base interactions energy: -701.191
where: short stacking energy: -311.362
Base-Backbone interact. energy: -1.462
local terms energy: -390.589549
where:
bonds (distance) C4'-P energy: -101.567
bonds (distance) P-C4' energy: -100.074
flat angles C4'-P-C4' energy: -66.076
flat angles P-C4'-P energy: -51.708
tors. eta vs tors. theta energy: -71.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -824.661160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.661160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.661160 (E_RNA)
where:
Base-Base interactions energy: -476.237
where: short stacking energy: -256.235
Base-Backbone interact. energy: 2.693
local terms energy: -351.117249
where:
bonds (distance) C4'-P energy: -67.414
bonds (distance) P-C4' energy: -81.472
flat angles C4'-P-C4' energy: -86.525
flat angles P-C4'-P energy: -63.354
tors. eta vs tors. theta energy: -52.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -770.771614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.771614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.771614 (E_RNA)
where:
Base-Base interactions energy: -444.530
where: short stacking energy: -227.457
Base-Backbone interact. energy: -0.604
local terms energy: -325.637413
where:
bonds (distance) C4'-P energy: -85.427
bonds (distance) P-C4' energy: -90.863
flat angles C4'-P-C4' energy: -81.665
flat angles P-C4'-P energy: -48.611
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: 10, replica: 4
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -538.850602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.850602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.850602 (E_RNA)
where:
Base-Base interactions energy: -276.198
where: short stacking energy: -139.149
Base-Backbone interact. energy: -1.989
local terms energy: -260.663813
where:
bonds (distance) C4'-P energy: -70.814
bonds (distance) P-C4' energy: -80.570
flat angles C4'-P-C4' energy: -70.196
flat angles P-C4'-P energy: -42.127
tors. eta vs tors. theta energy: 3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1781.280003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.280003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.280003 (E_RNA)
where:
Base-Base interactions energy: -1256.327
where: short stacking energy: -547.491
Base-Backbone interact. energy: -1.789
local terms energy: -523.164712
where:
bonds (distance) C4'-P energy: -101.461
bonds (distance) P-C4' energy: -90.483
flat angles C4'-P-C4' energy: -101.120
flat angles P-C4'-P energy: -73.645
tors. eta vs tors. theta energy: -156.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1686.350772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.350772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.350772 (E_RNA)
where:
Base-Base interactions energy: -1160.334
where: short stacking energy: -462.145
Base-Backbone interact. energy: 0.029
local terms energy: -526.046622
where:
bonds (distance) C4'-P energy: -104.518
bonds (distance) P-C4' energy: -99.056
flat angles C4'-P-C4' energy: -112.494
flat angles P-C4'-P energy: -65.173
tors. eta vs tors. theta energy: -144.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1566.351057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.351057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.351057 (E_RNA)
where:
Base-Base interactions energy: -1053.189
where: short stacking energy: -457.326
Base-Backbone interact. energy: -3.482
local terms energy: -509.679588
where:
bonds (distance) C4'-P energy: -105.468
bonds (distance) P-C4' energy: -94.267
flat angles C4'-P-C4' energy: -101.656
flat angles P-C4'-P energy: -78.729
tors. eta vs tors. theta energy: -129.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1511.358245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.358245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.358245 (E_RNA)
where:
Base-Base interactions energy: -1017.301
where: short stacking energy: -452.646
Base-Backbone interact. energy: 2.099
local terms energy: -496.156083
where:
bonds (distance) C4'-P energy: -93.563
bonds (distance) P-C4' energy: -90.133
flat angles C4'-P-C4' energy: -111.071
flat angles P-C4'-P energy: -71.558
tors. eta vs tors. theta energy: -129.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1381.446998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.446998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.446998 (E_RNA)
where:
Base-Base interactions energy: -903.656
where: short stacking energy: -422.495
Base-Backbone interact. energy: -1.196
local terms energy: -476.594937
where:
bonds (distance) C4'-P energy: -85.266
bonds (distance) P-C4' energy: -104.272
flat angles C4'-P-C4' energy: -91.964
flat angles P-C4'-P energy: -65.300
tors. eta vs tors. theta energy: -129.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1318.263900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.263900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.263900 (E_RNA)
where:
Base-Base interactions energy: -895.559
where: short stacking energy: -377.206
Base-Backbone interact. energy: -2.478
local terms energy: -420.226088
where:
bonds (distance) C4'-P energy: -93.902
bonds (distance) P-C4' energy: -79.633
flat angles C4'-P-C4' energy: -100.986
flat angles P-C4'-P energy: -47.304
tors. eta vs tors. theta energy: -98.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1103.033081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.033081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.033081 (E_RNA)
where:
Base-Base interactions energy: -698.035
where: short stacking energy: -327.066
Base-Backbone interact. energy: -0.074
local terms energy: -404.924684
where:
bonds (distance) C4'-P energy: -95.082
bonds (distance) P-C4' energy: -84.265
flat angles C4'-P-C4' energy: -92.204
flat angles P-C4'-P energy: -60.712
tors. eta vs tors. theta energy: -72.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -785.791026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.791026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.791026 (E_RNA)
where:
Base-Base interactions energy: -437.854
where: short stacking energy: -223.529
Base-Backbone interact. energy: -1.749
local terms energy: -346.187655
where:
bonds (distance) C4'-P energy: -84.965
bonds (distance) P-C4' energy: -76.965
flat angles C4'-P-C4' energy: -97.425
flat angles P-C4'-P energy: -59.288
tors. eta vs tors. theta energy: -27.545
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: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -808.905528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.905528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.905528 (E_RNA)
where:
Base-Base interactions energy: -488.792
where: short stacking energy: -251.806
Base-Backbone interact. energy: 1.498
local terms energy: -321.612218
where:
bonds (distance) C4'-P energy: -83.264
bonds (distance) P-C4' energy: -85.050
flat angles C4'-P-C4' energy: -80.607
flat angles P-C4'-P energy: -35.830
tors. eta vs tors. theta energy: -36.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -527.224187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.224187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.224187 (E_RNA)
where:
Base-Base interactions energy: -246.682
where: short stacking energy: -137.467
Base-Backbone interact. energy: 0.372
local terms energy: -280.914929
where:
bonds (distance) C4'-P energy: -88.656
bonds (distance) P-C4' energy: -79.833
flat angles C4'-P-C4' energy: -75.648
flat angles P-C4'-P energy: -54.374
tors. eta vs tors. theta energy: 17.596
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: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1769.101236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.101236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.101236 (E_RNA)
where:
Base-Base interactions energy: -1216.145
where: short stacking energy: -523.051
Base-Backbone interact. energy: -1.758
local terms energy: -551.198213
where:
bonds (distance) C4'-P energy: -98.168
bonds (distance) P-C4' energy: -105.978
flat angles C4'-P-C4' energy: -113.531
flat angles P-C4'-P energy: -77.567
tors. eta vs tors. theta energy: -155.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1681.375744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.375744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.375744 (E_RNA)
where:
Base-Base interactions energy: -1148.815
where: short stacking energy: -462.148
Base-Backbone interact. energy: -2.843
local terms energy: -529.717426
where:
bonds (distance) C4'-P energy: -100.851
bonds (distance) P-C4' energy: -98.891
flat angles C4'-P-C4' energy: -120.622
flat angles P-C4'-P energy: -75.409
tors. eta vs tors. theta energy: -133.944
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: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1581.052087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.052087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.052087 (E_RNA)
where:
Base-Base interactions energy: -1055.504
where: short stacking energy: -477.635
Base-Backbone interact. energy: -1.598
local terms energy: -523.950168
where:
bonds (distance) C4'-P energy: -95.518
bonds (distance) P-C4' energy: -93.020
flat angles C4'-P-C4' energy: -111.185
flat angles P-C4'-P energy: -84.567
tors. eta vs tors. theta energy: -139.660
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: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1518.490007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.490007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.490007 (E_RNA)
where:
Base-Base interactions energy: -1032.264
where: short stacking energy: -452.314
Base-Backbone interact. energy: 3.722
local terms energy: -489.948107
where:
bonds (distance) C4'-P energy: -94.551
bonds (distance) P-C4' energy: -88.134
flat angles C4'-P-C4' energy: -105.066
flat angles P-C4'-P energy: -71.091
tors. eta vs tors. theta energy: -131.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1340.290266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.290266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.290266 (E_RNA)
where:
Base-Base interactions energy: -856.069
where: short stacking energy: -394.457
Base-Backbone interact. energy: -1.335
local terms energy: -482.887075
where:
bonds (distance) C4'-P energy: -100.186
bonds (distance) P-C4' energy: -94.875
flat angles C4'-P-C4' energy: -102.511
flat angles P-C4'-P energy: -72.258
tors. eta vs tors. theta energy: -113.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1359.785741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.785741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.785741 (E_RNA)
where:
Base-Base interactions energy: -911.615
where: short stacking energy: -413.641
Base-Backbone interact. energy: 1.510
local terms energy: -449.681091
where:
bonds (distance) C4'-P energy: -93.122
bonds (distance) P-C4' energy: -83.649
flat angles C4'-P-C4' energy: -94.850
flat angles P-C4'-P energy: -53.982
tors. eta vs tors. theta energy: -124.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1140.832636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.832636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.832636 (E_RNA)
where:
Base-Base interactions energy: -702.803
where: short stacking energy: -328.394
Base-Backbone interact. energy: -1.975
local terms energy: -436.053829
where:
bonds (distance) C4'-P energy: -101.244
bonds (distance) P-C4' energy: -93.746
flat angles C4'-P-C4' energy: -98.761
flat angles P-C4'-P energy: -55.636
tors. eta vs tors. theta energy: -86.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -841.710473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.710473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.710473 (E_RNA)
where:
Base-Base interactions energy: -484.423
where: short stacking energy: -233.997
Base-Backbone interact. energy: -0.853
local terms energy: -356.435004
where:
bonds (distance) C4'-P energy: -72.487
bonds (distance) P-C4' energy: -86.009
flat angles C4'-P-C4' energy: -96.547
flat angles P-C4'-P energy: -61.482
tors. eta vs tors. theta energy: -39.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -703.508404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.508404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.508404 (E_RNA)
where:
Base-Base interactions energy: -389.024
where: short stacking energy: -215.320
Base-Backbone interact. energy: -0.964
local terms energy: -313.520173
where:
bonds (distance) C4'-P energy: -63.072
bonds (distance) P-C4' energy: -95.183
flat angles C4'-P-C4' energy: -90.093
flat angles P-C4'-P energy: -39.096
tors. eta vs tors. theta energy: -26.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -576.349228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.349228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.349228 (E_RNA)
where:
Base-Base interactions energy: -284.958
where: short stacking energy: -132.743
Base-Backbone interact. energy: -3.623
local terms energy: -287.767961
where:
bonds (distance) C4'-P energy: -71.893
bonds (distance) P-C4' energy: -87.409
flat angles C4'-P-C4' energy: -77.429
flat angles P-C4'-P energy: -57.996
tors. eta vs tors. theta energy: 6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1770.575849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.575849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.575849 (E_RNA)
where:
Base-Base interactions energy: -1207.242
where: short stacking energy: -514.227
Base-Backbone interact. energy: -2.013
local terms energy: -561.321298
where:
bonds (distance) C4'-P energy: -103.636
bonds (distance) P-C4' energy: -111.848
flat angles C4'-P-C4' energy: -112.713
flat angles P-C4'-P energy: -81.423
tors. eta vs tors. theta energy: -151.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1698.340853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.340853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.340853 (E_RNA)
where:
Base-Base interactions energy: -1176.643
where: short stacking energy: -471.915
Base-Backbone interact. energy: -2.639
local terms energy: -519.058345
where:
bonds (distance) C4'-P energy: -96.102
bonds (distance) P-C4' energy: -91.942
flat angles C4'-P-C4' energy: -118.988
flat angles P-C4'-P energy: -74.617
tors. eta vs tors. theta energy: -137.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1574.536510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.536510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.536510 (E_RNA)
where:
Base-Base interactions energy: -1077.077
where: short stacking energy: -468.266
Base-Backbone interact. energy: -2.658
local terms energy: -494.801938
where:
bonds (distance) C4'-P energy: -82.960
bonds (distance) P-C4' energy: -107.623
flat angles C4'-P-C4' energy: -106.378
flat angles P-C4'-P energy: -60.194
tors. eta vs tors. theta energy: -137.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1514.787722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.787722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.787722 (E_RNA)
where:
Base-Base interactions energy: -1013.706
where: short stacking energy: -424.791
Base-Backbone interact. energy: -1.098
local terms energy: -499.983526
where:
bonds (distance) C4'-P energy: -92.419
bonds (distance) P-C4' energy: -105.436
flat angles C4'-P-C4' energy: -110.281
flat angles P-C4'-P energy: -66.572
tors. eta vs tors. theta energy: -125.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1387.026701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.026701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.026701 (E_RNA)
where:
Base-Base interactions energy: -913.850
where: short stacking energy: -410.836
Base-Backbone interact. energy: 2.302
local terms energy: -475.477938
where:
bonds (distance) C4'-P energy: -90.443
bonds (distance) P-C4' energy: -91.588
flat angles C4'-P-C4' energy: -104.379
flat angles P-C4'-P energy: -74.028
tors. eta vs tors. theta energy: -115.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1335.184013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.184013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.184013 (E_RNA)
where:
Base-Base interactions energy: -869.502
where: short stacking energy: -385.563
Base-Backbone interact. energy: 1.455
local terms energy: -467.137260
where:
bonds (distance) C4'-P energy: -81.783
bonds (distance) P-C4' energy: -107.508
flat angles C4'-P-C4' energy: -113.773
flat angles P-C4'-P energy: -58.131
tors. eta vs tors. theta energy: -105.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1082.124541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.124541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.124541 (E_RNA)
where:
Base-Base interactions energy: -687.456
where: short stacking energy: -307.262
Base-Backbone interact. energy: 0.345
local terms energy: -395.013410
where:
bonds (distance) C4'-P energy: -84.732
bonds (distance) P-C4' energy: -93.675
flat angles C4'-P-C4' energy: -100.813
flat angles P-C4'-P energy: -54.093
tors. eta vs tors. theta energy: -61.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -808.496957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.496957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.496957 (E_RNA)
where:
Base-Base interactions energy: -466.286
where: short stacking energy: -238.306
Base-Backbone interact. energy: -1.519
local terms energy: -340.691752
where:
bonds (distance) C4'-P energy: -87.442
bonds (distance) P-C4' energy: -88.800
flat angles C4'-P-C4' energy: -95.090
flat angles P-C4'-P energy: -37.624
tors. eta vs tors. theta energy: -31.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -727.138645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.138645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.138645 (E_RNA)
where:
Base-Base interactions energy: -405.385
where: short stacking energy: -207.438
Base-Backbone interact. energy: 0.284
local terms energy: -322.037739
where:
bonds (distance) C4'-P energy: -88.645
bonds (distance) P-C4' energy: -92.299
flat angles C4'-P-C4' energy: -76.582
flat angles P-C4'-P energy: -50.397
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -585.337623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.337623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.337623 (E_RNA)
where:
Base-Base interactions energy: -286.407
where: short stacking energy: -162.746
Base-Backbone interact. energy: -0.610
local terms energy: -298.320717
where:
bonds (distance) C4'-P energy: -83.145
bonds (distance) P-C4' energy: -90.901
flat angles C4'-P-C4' energy: -71.847
flat angles P-C4'-P energy: -47.465
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1772.547492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.547492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.547492 (E_RNA)
where:
Base-Base interactions energy: -1212.639
where: short stacking energy: -516.940
Base-Backbone interact. energy: -2.807
local terms energy: -557.101466
where:
bonds (distance) C4'-P energy: -100.001
bonds (distance) P-C4' energy: -110.277
flat angles C4'-P-C4' energy: -117.160
flat angles P-C4'-P energy: -73.478
tors. eta vs tors. theta energy: -156.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1705.857238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.857238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.857238 (E_RNA)
where:
Base-Base interactions energy: -1184.080
where: short stacking energy: -499.448
Base-Backbone interact. energy: -4.431
local terms energy: -517.346161
where:
bonds (distance) C4'-P energy: -97.855
bonds (distance) P-C4' energy: -91.847
flat angles C4'-P-C4' energy: -109.006
flat angles P-C4'-P energy: -79.778
tors. eta vs tors. theta energy: -138.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1578.950329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.950329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.950329 (E_RNA)
where:
Base-Base interactions energy: -1072.696
where: short stacking energy: -451.877
Base-Backbone interact. energy: -1.893
local terms energy: -504.362033
where:
bonds (distance) C4'-P energy: -95.528
bonds (distance) P-C4' energy: -102.600
flat angles C4'-P-C4' energy: -104.940
flat angles P-C4'-P energy: -76.745
tors. eta vs tors. theta energy: -124.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1517.357185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.357185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.357185 (E_RNA)
where:
Base-Base interactions energy: -1015.124
where: short stacking energy: -446.904
Base-Backbone interact. energy: -3.030
local terms energy: -499.202553
where:
bonds (distance) C4'-P energy: -98.114
bonds (distance) P-C4' energy: -101.620
flat angles C4'-P-C4' energy: -94.062
flat angles P-C4'-P energy: -74.007
tors. eta vs tors. theta energy: -131.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1333.935408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.935408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.935408 (E_RNA)
where:
Base-Base interactions energy: -882.015
where: short stacking energy: -394.751
Base-Backbone interact. energy: -0.721
local terms energy: -451.199588
where:
bonds (distance) C4'-P energy: -90.516
bonds (distance) P-C4' energy: -95.289
flat angles C4'-P-C4' energy: -95.512
flat angles P-C4'-P energy: -63.010
tors. eta vs tors. theta energy: -106.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1310.288983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.288983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.288983 (E_RNA)
where:
Base-Base interactions energy: -860.686
where: short stacking energy: -374.067
Base-Backbone interact. energy: 0.518
local terms energy: -450.121007
where:
bonds (distance) C4'-P energy: -81.454
bonds (distance) P-C4' energy: -91.597
flat angles C4'-P-C4' energy: -100.427
flat angles P-C4'-P energy: -73.354
tors. eta vs tors. theta energy: -103.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1151.163710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.163710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.163710 (E_RNA)
where:
Base-Base interactions energy: -750.896
where: short stacking energy: -310.700
Base-Backbone interact. energy: -2.656
local terms energy: -397.612204
where:
bonds (distance) C4'-P energy: -71.886
bonds (distance) P-C4' energy: -85.289
flat angles C4'-P-C4' energy: -94.631
flat angles P-C4'-P energy: -63.787
tors. eta vs tors. theta energy: -82.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -830.942417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.942417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.942417 (E_RNA)
where:
Base-Base interactions energy: -463.649
where: short stacking energy: -231.468
Base-Backbone interact. energy: -0.098
local terms energy: -367.195483
where:
bonds (distance) C4'-P energy: -104.152
bonds (distance) P-C4' energy: -87.894
flat angles C4'-P-C4' energy: -82.525
flat angles P-C4'-P energy: -54.697
tors. eta vs tors. theta energy: -37.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -723.709024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.709024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.709024 (E_RNA)
where:
Base-Base interactions energy: -405.209
where: short stacking energy: -208.494
Base-Backbone interact. energy: 0.526
local terms energy: -319.025721
where:
bonds (distance) C4'-P energy: -78.128
bonds (distance) P-C4' energy: -95.306
flat angles C4'-P-C4' energy: -85.033
flat angles P-C4'-P energy: -57.458
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -576.356458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.356458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.356458 (E_RNA)
where:
Base-Base interactions energy: -283.444
where: short stacking energy: -140.060
Base-Backbone interact. energy: 3.023
local terms energy: -295.935001
where:
bonds (distance) C4'-P energy: -89.926
bonds (distance) P-C4' energy: -87.661
flat angles C4'-P-C4' energy: -79.870
flat angles P-C4'-P energy: -45.443
tors. eta vs tors. theta energy: 6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1792.432271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.432271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.432271 (E_RNA)
where:
Base-Base interactions energy: -1212.075
where: short stacking energy: -530.788
Base-Backbone interact. energy: 0.220
local terms energy: -580.576775
where:
bonds (distance) C4'-P energy: -103.726
bonds (distance) P-C4' energy: -115.111
flat angles C4'-P-C4' energy: -116.676
flat angles P-C4'-P energy: -84.795
tors. eta vs tors. theta energy: -160.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1712.574280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.574280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.574280 (E_RNA)
where:
Base-Base interactions energy: -1203.401
where: short stacking energy: -473.957
Base-Backbone interact. energy: -3.310
local terms energy: -505.862935
where:
bonds (distance) C4'-P energy: -90.937
bonds (distance) P-C4' energy: -102.399
flat angles C4'-P-C4' energy: -99.792
flat angles P-C4'-P energy: -67.435
tors. eta vs tors. theta energy: -145.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1551.811139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.811139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.811139 (E_RNA)
where:
Base-Base interactions energy: -1041.106
where: short stacking energy: -464.072
Base-Backbone interact. energy: -1.527
local terms energy: -509.177645
where:
bonds (distance) C4'-P energy: -93.360
bonds (distance) P-C4' energy: -102.505
flat angles C4'-P-C4' energy: -103.643
flat angles P-C4'-P energy: -76.994
tors. eta vs tors. theta energy: -132.675
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: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1510.215421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.215421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.215421 (E_RNA)
where:
Base-Base interactions energy: -1000.999
where: short stacking energy: -433.244
Base-Backbone interact. energy: 0.510
local terms energy: -509.726920
where:
bonds (distance) C4'-P energy: -96.598
bonds (distance) P-C4' energy: -93.679
flat angles C4'-P-C4' energy: -105.180
flat angles P-C4'-P energy: -79.232
tors. eta vs tors. theta energy: -135.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1358.221541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.221541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.221541 (E_RNA)
where:
Base-Base interactions energy: -899.123
where: short stacking energy: -392.527
Base-Backbone interact. energy: 0.068
local terms energy: -459.166711
where:
bonds (distance) C4'-P energy: -91.959
bonds (distance) P-C4' energy: -98.656
flat angles C4'-P-C4' energy: -99.753
flat angles P-C4'-P energy: -63.626
tors. eta vs tors. theta energy: -105.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1308.538554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.538554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.538554 (E_RNA)
where:
Base-Base interactions energy: -866.845
where: short stacking energy: -381.423
Base-Backbone interact. energy: 0.471
local terms energy: -442.164409
where:
bonds (distance) C4'-P energy: -86.018
bonds (distance) P-C4' energy: -92.079
flat angles C4'-P-C4' energy: -89.589
flat angles P-C4'-P energy: -66.478
tors. eta vs tors. theta energy: -108.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1157.232417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.232417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.232417 (E_RNA)
where:
Base-Base interactions energy: -717.626
where: short stacking energy: -328.214
Base-Backbone interact. energy: -0.476
local terms energy: -439.130049
where:
bonds (distance) C4'-P energy: -84.475
bonds (distance) P-C4' energy: -102.088
flat angles C4'-P-C4' energy: -96.210
flat angles P-C4'-P energy: -62.163
tors. eta vs tors. theta energy: -94.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -768.523654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.523654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.523654 (E_RNA)
where:
Base-Base interactions energy: -442.913
where: short stacking energy: -204.431
Base-Backbone interact. energy: -0.051
local terms energy: -325.560016
where:
bonds (distance) C4'-P energy: -76.496
bonds (distance) P-C4' energy: -91.514
flat angles C4'-P-C4' energy: -82.812
flat angles P-C4'-P energy: -50.437
tors. eta vs tors. theta energy: -24.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -691.991391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.991391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.991391 (E_RNA)
where:
Base-Base interactions energy: -380.127
where: short stacking energy: -206.776
Base-Backbone interact. energy: -0.208
local terms energy: -311.656937
where:
bonds (distance) C4'-P energy: -74.096
bonds (distance) P-C4' energy: -78.186
flat angles C4'-P-C4' energy: -87.662
flat angles P-C4'-P energy: -55.249
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -610.190754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.190754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.190754 (E_RNA)
where:
Base-Base interactions energy: -313.241
where: short stacking energy: -165.607
Base-Backbone interact. energy: -0.547
local terms energy: -296.402166
where:
bonds (distance) C4'-P energy: -86.430
bonds (distance) P-C4' energy: -84.244
flat angles C4'-P-C4' energy: -74.635
flat angles P-C4'-P energy: -43.035
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1762.211580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.211580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.211580 (E_RNA)
where:
Base-Base interactions energy: -1202.424
where: short stacking energy: -507.058
Base-Backbone interact. energy: -0.957
local terms energy: -558.830894
where:
bonds (distance) C4'-P energy: -112.744
bonds (distance) P-C4' energy: -109.786
flat angles C4'-P-C4' energy: -116.604
flat angles P-C4'-P energy: -70.368
tors. eta vs tors. theta energy: -149.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1710.430515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.430515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.430515 (E_RNA)
where:
Base-Base interactions energy: -1179.063
where: short stacking energy: -472.103
Base-Backbone interact. energy: -1.462
local terms energy: -529.905696
where:
bonds (distance) C4'-P energy: -108.347
bonds (distance) P-C4' energy: -103.769
flat angles C4'-P-C4' energy: -104.835
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -134.123
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: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1524.665271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.665271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.665271 (E_RNA)
where:
Base-Base interactions energy: -1027.297
where: short stacking energy: -461.105
Base-Backbone interact. energy: -2.084
local terms energy: -495.284782
where:
bonds (distance) C4'-P energy: -94.319
bonds (distance) P-C4' energy: -101.792
flat angles C4'-P-C4' energy: -107.712
flat angles P-C4'-P energy: -73.777
tors. eta vs tors. theta energy: -117.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1500.292166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.292166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.292166 (E_RNA)
where:
Base-Base interactions energy: -1004.172
where: short stacking energy: -440.780
Base-Backbone interact. energy: -1.444
local terms energy: -494.676126
where:
bonds (distance) C4'-P energy: -95.196
bonds (distance) P-C4' energy: -98.058
flat angles C4'-P-C4' energy: -104.863
flat angles P-C4'-P energy: -67.682
tors. eta vs tors. theta energy: -128.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1399.887181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.887181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.887181 (E_RNA)
where:
Base-Base interactions energy: -928.580
where: short stacking energy: -412.537
Base-Backbone interact. energy: -0.117
local terms energy: -471.191059
where:
bonds (distance) C4'-P energy: -85.153
bonds (distance) P-C4' energy: -99.530
flat angles C4'-P-C4' energy: -108.245
flat angles P-C4'-P energy: -68.225
tors. eta vs tors. theta energy: -110.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1345.182114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.182114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.182114 (E_RNA)
where:
Base-Base interactions energy: -878.429
where: short stacking energy: -379.471
Base-Backbone interact. energy: -3.360
local terms energy: -463.392801
where:
bonds (distance) C4'-P energy: -89.549
bonds (distance) P-C4' energy: -92.351
flat angles C4'-P-C4' energy: -113.750
flat angles P-C4'-P energy: -58.421
tors. eta vs tors. theta energy: -109.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1081.772330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.772330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.772330 (E_RNA)
where:
Base-Base interactions energy: -707.276
where: short stacking energy: -306.752
Base-Backbone interact. energy: -2.474
local terms energy: -372.022496
where:
bonds (distance) C4'-P energy: -77.332
bonds (distance) P-C4' energy: -101.447
flat angles C4'-P-C4' energy: -90.123
flat angles P-C4'-P energy: -41.087
tors. eta vs tors. theta energy: -62.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -813.956040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.956040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.956040 (E_RNA)
where:
Base-Base interactions energy: -491.109
where: short stacking energy: -254.064
Base-Backbone interact. energy: -0.665
local terms energy: -322.181934
where:
bonds (distance) C4'-P energy: -76.433
bonds (distance) P-C4' energy: -96.309
flat angles C4'-P-C4' energy: -81.381
flat angles P-C4'-P energy: -48.490
tors. eta vs tors. theta energy: -19.568
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: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -699.371893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.371893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.371893 (E_RNA)
where:
Base-Base interactions energy: -387.700
where: short stacking energy: -191.910
Base-Backbone interact. energy: 4.222
local terms energy: -315.894255
where:
bonds (distance) C4'-P energy: -83.470
bonds (distance) P-C4' energy: -90.069
flat angles C4'-P-C4' energy: -70.316
flat angles P-C4'-P energy: -46.858
tors. eta vs tors. theta energy: -25.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -594.832859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.832859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.832859 (E_RNA)
where:
Base-Base interactions energy: -324.645
where: short stacking energy: -169.846
Base-Backbone interact. energy: 1.058
local terms energy: -271.245663
where:
bonds (distance) C4'-P energy: -84.893
bonds (distance) P-C4' energy: -78.708
flat angles C4'-P-C4' energy: -52.219
flat angles P-C4'-P energy: -49.952
tors. eta vs tors. theta energy: -5.474
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: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1768.592820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.592820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.592820 (E_RNA)
where:
Base-Base interactions energy: -1219.917
where: short stacking energy: -522.511
Base-Backbone interact. energy: -4.438
local terms energy: -544.237891
where:
bonds (distance) C4'-P energy: -106.468
bonds (distance) P-C4' energy: -99.336
flat angles C4'-P-C4' energy: -111.612
flat angles P-C4'-P energy: -69.576
tors. eta vs tors. theta energy: -157.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1737.311856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.311856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.311856 (E_RNA)
where:
Base-Base interactions energy: -1214.136
where: short stacking energy: -455.780
Base-Backbone interact. energy: -3.890
local terms energy: -519.285481
where:
bonds (distance) C4'-P energy: -90.667
bonds (distance) P-C4' energy: -93.704
flat angles C4'-P-C4' energy: -113.942
flat angles P-C4'-P energy: -84.862
tors. eta vs tors. theta energy: -136.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1571.222819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.222819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.222819 (E_RNA)
where:
Base-Base interactions energy: -1049.323
where: short stacking energy: -458.291
Base-Backbone interact. energy: -4.135
local terms energy: -517.765604
where:
bonds (distance) C4'-P energy: -110.487
bonds (distance) P-C4' energy: -88.721
flat angles C4'-P-C4' energy: -111.875
flat angles P-C4'-P energy: -70.188
tors. eta vs tors. theta energy: -136.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1515.245503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.245503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.245503 (E_RNA)
where:
Base-Base interactions energy: -1012.642
where: short stacking energy: -463.653
Base-Backbone interact. energy: -2.182
local terms energy: -500.421123
where:
bonds (distance) C4'-P energy: -91.379
bonds (distance) P-C4' energy: -87.860
flat angles C4'-P-C4' energy: -113.279
flat angles P-C4'-P energy: -73.436
tors. eta vs tors. theta energy: -134.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1430.387766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.387766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.387766 (E_RNA)
where:
Base-Base interactions energy: -954.777
where: short stacking energy: -419.930
Base-Backbone interact. energy: -2.761
local terms energy: -472.850063
where:
bonds (distance) C4'-P energy: -90.164
bonds (distance) P-C4' energy: -93.781
flat angles C4'-P-C4' energy: -107.140
flat angles P-C4'-P energy: -63.883
tors. eta vs tors. theta energy: -117.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1321.739863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.739863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.739863 (E_RNA)
where:
Base-Base interactions energy: -896.261
where: short stacking energy: -363.281
Base-Backbone interact. energy: 0.672
local terms energy: -426.150292
where:
bonds (distance) C4'-P energy: -92.518
bonds (distance) P-C4' energy: -93.924
flat angles C4'-P-C4' energy: -85.378
flat angles P-C4'-P energy: -56.798
tors. eta vs tors. theta energy: -97.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1156.344720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.344720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.344720 (E_RNA)
where:
Base-Base interactions energy: -739.788
where: short stacking energy: -351.486
Base-Backbone interact. energy: -0.378
local terms energy: -416.179539
where:
bonds (distance) C4'-P energy: -87.988
bonds (distance) P-C4' energy: -77.803
flat angles C4'-P-C4' energy: -94.348
flat angles P-C4'-P energy: -53.714
tors. eta vs tors. theta energy: -102.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -787.200465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.200465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.200465 (E_RNA)
where:
Base-Base interactions energy: -465.986
where: short stacking energy: -234.826
Base-Backbone interact. energy: -1.624
local terms energy: -319.590230
where:
bonds (distance) C4'-P energy: -79.907
bonds (distance) P-C4' energy: -69.680
flat angles C4'-P-C4' energy: -92.188
flat angles P-C4'-P energy: -47.249
tors. eta vs tors. theta energy: -30.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -751.526642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.526642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.526642 (E_RNA)
where:
Base-Base interactions energy: -431.520
where: short stacking energy: -224.210
Base-Backbone interact. energy: -0.501
local terms energy: -319.505756
where:
bonds (distance) C4'-P energy: -71.060
bonds (distance) P-C4' energy: -76.716
flat angles C4'-P-C4' energy: -87.598
flat angles P-C4'-P energy: -65.059
tors. eta vs tors. theta energy: -19.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -561.969380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.969380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.969380 (E_RNA)
where:
Base-Base interactions energy: -279.476
where: short stacking energy: -151.057
Base-Backbone interact. energy: -2.119
local terms energy: -281.139406
where:
bonds (distance) C4'-P energy: -85.474
bonds (distance) P-C4' energy: -79.847
flat angles C4'-P-C4' energy: -75.447
flat angles P-C4'-P energy: -43.087
tors. eta vs tors. theta energy: 2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.765 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1775.012174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.012174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.012174 (E_RNA)
where:
Base-Base interactions energy: -1211.912
where: short stacking energy: -519.379
Base-Backbone interact. energy: -0.689
local terms energy: -562.412030
where:
bonds (distance) C4'-P energy: -105.735
bonds (distance) P-C4' energy: -103.319
flat angles C4'-P-C4' energy: -108.195
flat angles P-C4'-P energy: -81.984
tors. eta vs tors. theta energy: -163.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1712.860235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.860235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.860235 (E_RNA)
where:
Base-Base interactions energy: -1199.745
where: short stacking energy: -467.067
Base-Backbone interact. energy: 3.652
local terms energy: -516.767047
where:
bonds (distance) C4'-P energy: -108.166
bonds (distance) P-C4' energy: -83.498
flat angles C4'-P-C4' energy: -123.315
flat angles P-C4'-P energy: -65.655
tors. eta vs tors. theta energy: -136.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1552.757228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.757228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.757228 (E_RNA)
where:
Base-Base interactions energy: -1040.944
where: short stacking energy: -459.645
Base-Backbone interact. energy: -1.611
local terms energy: -510.202717
where:
bonds (distance) C4'-P energy: -95.675
bonds (distance) P-C4' energy: -103.791
flat angles C4'-P-C4' energy: -113.765
flat angles P-C4'-P energy: -71.774
tors. eta vs tors. theta energy: -125.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1517.921361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.921361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.921361 (E_RNA)
where:
Base-Base interactions energy: -1022.593
where: short stacking energy: -467.011
Base-Backbone interact. energy: -2.720
local terms energy: -492.608483
where:
bonds (distance) C4'-P energy: -95.504
bonds (distance) P-C4' energy: -90.968
flat angles C4'-P-C4' energy: -106.003
flat angles P-C4'-P energy: -62.678
tors. eta vs tors. theta energy: -137.456
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: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1402.795329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.795329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.795329 (E_RNA)
where:
Base-Base interactions energy: -937.808
where: short stacking energy: -416.550
Base-Backbone interact. energy: -3.191
local terms energy: -461.796394
where:
bonds (distance) C4'-P energy: -97.298
bonds (distance) P-C4' energy: -86.389
flat angles C4'-P-C4' energy: -104.418
flat angles P-C4'-P energy: -64.141
tors. eta vs tors. theta energy: -109.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1331.747406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.747406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.747406 (E_RNA)
where:
Base-Base interactions energy: -883.574
where: short stacking energy: -370.711
Base-Backbone interact. energy: -2.384
local terms energy: -445.789469
where:
bonds (distance) C4'-P energy: -86.757
bonds (distance) P-C4' energy: -87.728
flat angles C4'-P-C4' energy: -93.718
flat angles P-C4'-P energy: -64.171
tors. eta vs tors. theta energy: -113.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1148.230023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.230023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.230023 (E_RNA)
where:
Base-Base interactions energy: -722.766
where: short stacking energy: -329.320
Base-Backbone interact. energy: -0.672
local terms energy: -424.792032
where:
bonds (distance) C4'-P energy: -83.129
bonds (distance) P-C4' energy: -97.049
flat angles C4'-P-C4' energy: -101.522
flat angles P-C4'-P energy: -60.879
tors. eta vs tors. theta energy: -82.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -775.637882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.637882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.637882 (E_RNA)
where:
Base-Base interactions energy: -404.409
where: short stacking energy: -227.737
Base-Backbone interact. energy: -2.659
local terms energy: -368.570043
where:
bonds (distance) C4'-P energy: -93.740
bonds (distance) P-C4' energy: -79.556
flat angles C4'-P-C4' energy: -85.772
flat angles P-C4'-P energy: -60.404
tors. eta vs tors. theta energy: -49.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -757.978014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.978014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.978014 (E_RNA)
where:
Base-Base interactions energy: -435.339
where: short stacking energy: -217.607
Base-Backbone interact. energy: -0.129
local terms energy: -322.509106
where:
bonds (distance) C4'-P energy: -80.084
bonds (distance) P-C4' energy: -75.699
flat angles C4'-P-C4' energy: -76.511
flat angles P-C4'-P energy: -68.300
tors. eta vs tors. theta energy: -21.915
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: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -562.728902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.728902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.728902 (E_RNA)
where:
Base-Base interactions energy: -260.127
where: short stacking energy: -158.548
Base-Backbone interact. energy: -0.956
local terms energy: -302.056711
where:
bonds (distance) C4'-P energy: -76.106
bonds (distance) P-C4' energy: -86.716
flat angles C4'-P-C4' energy: -73.511
flat angles P-C4'-P energy: -52.923
tors. eta vs tors. theta energy: -12.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.411 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1775.603321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.603321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.603321 (E_RNA)
where:
Base-Base interactions energy: -1234.860
where: short stacking energy: -535.418
Base-Backbone interact. energy: 1.592
local terms energy: -542.335625
where:
bonds (distance) C4'-P energy: -101.179
bonds (distance) P-C4' energy: -92.808
flat angles C4'-P-C4' energy: -116.882
flat angles P-C4'-P energy: -73.324
tors. eta vs tors. theta energy: -158.142
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: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1672.281117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.281117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.281117 (E_RNA)
where:
Base-Base interactions energy: -1139.381
where: short stacking energy: -478.621
Base-Backbone interact. energy: -2.416
local terms energy: -530.484013
where:
bonds (distance) C4'-P energy: -93.908
bonds (distance) P-C4' energy: -111.207
flat angles C4'-P-C4' energy: -110.467
flat angles P-C4'-P energy: -71.731
tors. eta vs tors. theta energy: -143.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1571.693184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.693184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.693184 (E_RNA)
where:
Base-Base interactions energy: -1043.589
where: short stacking energy: -478.847
Base-Backbone interact. energy: -1.192
local terms energy: -526.911779
where:
bonds (distance) C4'-P energy: -91.462
bonds (distance) P-C4' energy: -114.073
flat angles C4'-P-C4' energy: -102.626
flat angles P-C4'-P energy: -83.153
tors. eta vs tors. theta energy: -135.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1490.744512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.744512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.744512 (E_RNA)
where:
Base-Base interactions energy: -1005.337
where: short stacking energy: -442.548
Base-Backbone interact. energy: -2.225
local terms energy: -483.182877
where:
bonds (distance) C4'-P energy: -83.696
bonds (distance) P-C4' energy: -104.989
flat angles C4'-P-C4' energy: -109.185
flat angles P-C4'-P energy: -58.886
tors. eta vs tors. theta energy: -126.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1426.223217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.223217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.223217 (E_RNA)
where:
Base-Base interactions energy: -937.809
where: short stacking energy: -431.478
Base-Backbone interact. energy: -1.229
local terms energy: -487.185026
where:
bonds (distance) C4'-P energy: -87.883
bonds (distance) P-C4' energy: -101.254
flat angles C4'-P-C4' energy: -101.400
flat angles P-C4'-P energy: -66.474
tors. eta vs tors. theta energy: -130.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1302.879783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.879783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.879783 (E_RNA)
where:
Base-Base interactions energy: -866.897
where: short stacking energy: -385.769
Base-Backbone interact. energy: -3.520
local terms energy: -432.462287
where:
bonds (distance) C4'-P energy: -89.085
bonds (distance) P-C4' energy: -84.253
flat angles C4'-P-C4' energy: -98.004
flat angles P-C4'-P energy: -60.144
tors. eta vs tors. theta energy: -100.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1158.960356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.960356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.960356 (E_RNA)
where:
Base-Base interactions energy: -730.645
where: short stacking energy: -321.981
Base-Backbone interact. energy: -1.373
local terms energy: -426.942256
where:
bonds (distance) C4'-P energy: -88.346
bonds (distance) P-C4' energy: -85.981
flat angles C4'-P-C4' energy: -97.656
flat angles P-C4'-P energy: -71.407
tors. eta vs tors. theta energy: -83.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -765.054253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.054253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.054253 (E_RNA)
where:
Base-Base interactions energy: -413.295
where: short stacking energy: -214.146
Base-Backbone interact. energy: 0.671
local terms energy: -352.429817
where:
bonds (distance) C4'-P energy: -92.888
bonds (distance) P-C4' energy: -79.475
flat angles C4'-P-C4' energy: -102.873
flat angles P-C4'-P energy: -51.387
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -796.277016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.277016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.277016 (E_RNA)
where:
Base-Base interactions energy: -464.286
where: short stacking energy: -234.507
Base-Backbone interact. energy: -1.430
local terms energy: -330.560942
where:
bonds (distance) C4'-P energy: -84.115
bonds (distance) P-C4' energy: -81.724
flat angles C4'-P-C4' energy: -69.214
flat angles P-C4'-P energy: -59.339
tors. eta vs tors. theta energy: -36.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -519.677606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.677606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.677606 (E_RNA)
where:
Base-Base interactions energy: -216.047
where: short stacking energy: -128.382
Base-Backbone interact. energy: -2.317
local terms energy: -301.313661
where:
bonds (distance) C4'-P energy: -92.316
bonds (distance) P-C4' energy: -92.558
flat angles C4'-P-C4' energy: -73.194
flat angles P-C4'-P energy: -43.463
tors. eta vs tors. theta energy: 0.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1775.357342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.357342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.357342 (E_RNA)
where:
Base-Base interactions energy: -1204.317
where: short stacking energy: -529.637
Base-Backbone interact. energy: -4.283
local terms energy: -566.757167
where:
bonds (distance) C4'-P energy: -106.286
bonds (distance) P-C4' energy: -109.114
flat angles C4'-P-C4' energy: -119.115
flat angles P-C4'-P energy: -67.586
tors. eta vs tors. theta energy: -164.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1702.112996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.112996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.112996 (E_RNA)
where:
Base-Base interactions energy: -1186.229
where: short stacking energy: -482.847
Base-Backbone interact. energy: -2.716
local terms energy: -513.168333
where:
bonds (distance) C4'-P energy: -84.818
bonds (distance) P-C4' energy: -103.909
flat angles C4'-P-C4' energy: -110.701
flat angles P-C4'-P energy: -79.407
tors. eta vs tors. theta energy: -134.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1553.939380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.939380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.939380 (E_RNA)
where:
Base-Base interactions energy: -1037.827
where: short stacking energy: -454.061
Base-Backbone interact. energy: -2.926
local terms energy: -513.186156
where:
bonds (distance) C4'-P energy: -94.114
bonds (distance) P-C4' energy: -94.372
flat angles C4'-P-C4' energy: -109.671
flat angles P-C4'-P energy: -75.158
tors. eta vs tors. theta energy: -139.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1515.507176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.507176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.507176 (E_RNA)
where:
Base-Base interactions energy: -1010.159
where: short stacking energy: -416.705
Base-Backbone interact. energy: -2.512
local terms energy: -502.836157
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -102.490
flat angles C4'-P-C4' energy: -96.228
flat angles P-C4'-P energy: -67.325
tors. eta vs tors. theta energy: -125.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1421.876754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.876754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.876754 (E_RNA)
where:
Base-Base interactions energy: -937.993
where: short stacking energy: -402.660
Base-Backbone interact. energy: -0.340
local terms energy: -483.543160
where:
bonds (distance) C4'-P energy: -105.661
bonds (distance) P-C4' energy: -96.827
flat angles C4'-P-C4' energy: -111.524
flat angles P-C4'-P energy: -52.106
tors. eta vs tors. theta energy: -117.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1264.490266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.490266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.490266 (E_RNA)
where:
Base-Base interactions energy: -849.870
where: short stacking energy: -382.717
Base-Backbone interact. energy: 1.937
local terms energy: -416.557560
where:
bonds (distance) C4'-P energy: -91.351
bonds (distance) P-C4' energy: -72.832
flat angles C4'-P-C4' energy: -90.098
flat angles P-C4'-P energy: -55.701
tors. eta vs tors. theta energy: -106.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1169.915244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.915244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.915244 (E_RNA)
where:
Base-Base interactions energy: -758.835
where: short stacking energy: -341.645
Base-Backbone interact. energy: -2.179
local terms energy: -408.901171
where:
bonds (distance) C4'-P energy: -86.365
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -92.940
flat angles P-C4'-P energy: -57.246
tors. eta vs tors. theta energy: -84.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -854.465092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.465092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.465092 (E_RNA)
where:
Base-Base interactions energy: -527.975
where: short stacking energy: -252.243
Base-Backbone interact. energy: -1.973
local terms energy: -324.517018
where:
bonds (distance) C4'-P energy: -86.250
bonds (distance) P-C4' energy: -82.417
flat angles C4'-P-C4' energy: -64.907
flat angles P-C4'-P energy: -51.192
tors. eta vs tors. theta energy: -39.751
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: 1
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -768.559943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.559943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.559943 (E_RNA)
where:
Base-Base interactions energy: -454.473
where: short stacking energy: -232.789
Base-Backbone interact. energy: -1.124
local terms energy: -312.962115
where:
bonds (distance) C4'-P energy: -95.467
bonds (distance) P-C4' energy: -76.561
flat angles C4'-P-C4' energy: -63.676
flat angles P-C4'-P energy: -47.538
tors. eta vs tors. theta energy: -29.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -536.170586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.170586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.170586 (E_RNA)
where:
Base-Base interactions energy: -258.009
where: short stacking energy: -146.899
Base-Backbone interact. energy: -0.432
local terms energy: -277.730002
where:
bonds (distance) C4'-P energy: -76.242
bonds (distance) P-C4' energy: -99.260
flat angles C4'-P-C4' energy: -54.742
flat angles P-C4'-P energy: -54.952
tors. eta vs tors. theta energy: 7.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1778.267890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.267890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.267890 (E_RNA)
where:
Base-Base interactions energy: -1229.473
where: short stacking energy: -527.470
Base-Backbone interact. energy: 0.907
local terms energy: -549.701578
where:
bonds (distance) C4'-P energy: -94.502
bonds (distance) P-C4' energy: -94.262
flat angles C4'-P-C4' energy: -121.809
flat angles P-C4'-P energy: -80.853
tors. eta vs tors. theta energy: -158.276
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: 2, replica: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1709.138421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.138421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.138421 (E_RNA)
where:
Base-Base interactions energy: -1197.880
where: short stacking energy: -482.301
Base-Backbone interact. energy: -3.872
local terms energy: -507.387150
where:
bonds (distance) C4'-P energy: -80.465
bonds (distance) P-C4' energy: -103.150
flat angles C4'-P-C4' energy: -110.201
flat angles P-C4'-P energy: -77.855
tors. eta vs tors. theta energy: -135.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1563.274838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.274838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.274838 (E_RNA)
where:
Base-Base interactions energy: -1043.298
where: short stacking energy: -453.411
Base-Backbone interact. energy: -2.292
local terms energy: -517.685126
where:
bonds (distance) C4'-P energy: -104.787
bonds (distance) P-C4' energy: -85.100
flat angles C4'-P-C4' energy: -110.000
flat angles P-C4'-P energy: -74.364
tors. eta vs tors. theta energy: -143.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1505.334329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.334329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.334329 (E_RNA)
where:
Base-Base interactions energy: -1013.888
where: short stacking energy: -447.226
Base-Backbone interact. energy: -1.972
local terms energy: -489.474077
where:
bonds (distance) C4'-P energy: -85.671
bonds (distance) P-C4' energy: -103.286
flat angles C4'-P-C4' energy: -106.934
flat angles P-C4'-P energy: -69.164
tors. eta vs tors. theta energy: -124.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1349.226559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.226559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.226559 (E_RNA)
where:
Base-Base interactions energy: -880.002
where: short stacking energy: -369.597
Base-Backbone interact. energy: 0.181
local terms energy: -469.405425
where:
bonds (distance) C4'-P energy: -88.211
bonds (distance) P-C4' energy: -97.633
flat angles C4'-P-C4' energy: -103.687
flat angles P-C4'-P energy: -66.232
tors. eta vs tors. theta energy: -113.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1322.709413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.709413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.709413 (E_RNA)
where:
Base-Base interactions energy: -894.347
where: short stacking energy: -369.461
Base-Backbone interact. energy: -2.902
local terms energy: -425.460139
where:
bonds (distance) C4'-P energy: -93.562
bonds (distance) P-C4' energy: -91.393
flat angles C4'-P-C4' energy: -87.179
flat angles P-C4'-P energy: -61.780
tors. eta vs tors. theta energy: -91.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1165.312069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.312069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.312069 (E_RNA)
where:
Base-Base interactions energy: -750.758
where: short stacking energy: -340.088
Base-Backbone interact. energy: -1.422
local terms energy: -413.132345
where:
bonds (distance) C4'-P energy: -80.452
bonds (distance) P-C4' energy: -86.064
flat angles C4'-P-C4' energy: -98.690
flat angles P-C4'-P energy: -59.484
tors. eta vs tors. theta energy: -88.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -848.319666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.319666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.319666 (E_RNA)
where:
Base-Base interactions energy: -530.880
where: short stacking energy: -252.332
Base-Backbone interact. energy: -0.888
local terms energy: -316.551402
where:
bonds (distance) C4'-P energy: -66.452
bonds (distance) P-C4' energy: -78.024
flat angles C4'-P-C4' energy: -87.192
flat angles P-C4'-P energy: -46.014
tors. eta vs tors. theta energy: -38.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -852.426003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.426003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.426003 (E_RNA)
where:
Base-Base interactions energy: -495.114
where: short stacking energy: -233.449
Base-Backbone interact. energy: 0.187
local terms energy: -357.499097
where:
bonds (distance) C4'-P energy: -85.786
bonds (distance) P-C4' energy: -99.545
flat angles C4'-P-C4' energy: -72.081
flat angles P-C4'-P energy: -60.267
tors. eta vs tors. theta energy: -39.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -554.420532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.420532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.420532 (E_RNA)
where:
Base-Base interactions energy: -287.211
where: short stacking energy: -149.820
Base-Backbone interact. energy: 2.450
local terms energy: -269.659475
where:
bonds (distance) C4'-P energy: -79.596
bonds (distance) P-C4' energy: -76.630
flat angles C4'-P-C4' energy: -80.374
flat angles P-C4'-P energy: -32.385
tors. eta vs tors. theta energy: -0.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1786.951772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.951772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.951772 (E_RNA)
where:
Base-Base interactions energy: -1235.887
where: short stacking energy: -525.494
Base-Backbone interact. energy: -0.520
local terms energy: -550.545355
where:
bonds (distance) C4'-P energy: -104.792
bonds (distance) P-C4' energy: -93.606
flat angles C4'-P-C4' energy: -118.735
flat angles P-C4'-P energy: -77.718
tors. eta vs tors. theta energy: -155.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1666.939000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.939000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.939000 (E_RNA)
where:
Base-Base interactions energy: -1152.177
where: short stacking energy: -479.274
Base-Backbone interact. energy: -2.746
local terms energy: -512.015531
where:
bonds (distance) C4'-P energy: -78.746
bonds (distance) P-C4' energy: -105.887
flat angles C4'-P-C4' energy: -108.236
flat angles P-C4'-P energy: -77.355
tors. eta vs tors. theta energy: -141.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1571.381819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.381819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.381819 (E_RNA)
where:
Base-Base interactions energy: -1051.593
where: short stacking energy: -456.454
Base-Backbone interact. energy: -0.712
local terms energy: -519.076896
where:
bonds (distance) C4'-P energy: -94.965
bonds (distance) P-C4' energy: -104.604
flat angles C4'-P-C4' energy: -104.391
flat angles P-C4'-P energy: -79.951
tors. eta vs tors. theta energy: -135.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1399.495249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.495249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.495249 (E_RNA)
where:
Base-Base interactions energy: -950.402
where: short stacking energy: -427.408
Base-Backbone interact. energy: -4.073
local terms energy: -445.020295
where:
bonds (distance) C4'-P energy: -77.617
bonds (distance) P-C4' energy: -95.121
flat angles C4'-P-C4' energy: -101.576
flat angles P-C4'-P energy: -60.855
tors. eta vs tors. theta energy: -109.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1432.674115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.674115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.674115 (E_RNA)
where:
Base-Base interactions energy: -979.133
where: short stacking energy: -424.438
Base-Backbone interact. energy: -1.952
local terms energy: -451.588565
where:
bonds (distance) C4'-P energy: -87.110
bonds (distance) P-C4' energy: -83.078
flat angles C4'-P-C4' energy: -104.972
flat angles P-C4'-P energy: -64.044
tors. eta vs tors. theta energy: -112.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1323.821302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.821302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.821302 (E_RNA)
where:
Base-Base interactions energy: -867.550
where: short stacking energy: -398.655
Base-Backbone interact. energy: -1.613
local terms energy: -454.657994
where:
bonds (distance) C4'-P energy: -78.744
bonds (distance) P-C4' energy: -103.439
flat angles C4'-P-C4' energy: -102.401
flat angles P-C4'-P energy: -61.640
tors. eta vs tors. theta energy: -108.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1180.594334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.594334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.594334 (E_RNA)
where:
Base-Base interactions energy: -742.509
where: short stacking energy: -329.115
Base-Backbone interact. energy: -0.818
local terms energy: -437.266977
where:
bonds (distance) C4'-P energy: -92.140
bonds (distance) P-C4' energy: -95.082
flat angles C4'-P-C4' energy: -99.868
flat angles P-C4'-P energy: -70.930
tors. eta vs tors. theta energy: -79.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -872.270869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.270869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.270869 (E_RNA)
where:
Base-Base interactions energy: -517.307
where: short stacking energy: -261.936
Base-Backbone interact. energy: -3.140
local terms energy: -351.823852
where:
bonds (distance) C4'-P energy: -70.507
bonds (distance) P-C4' energy: -105.404
flat angles C4'-P-C4' energy: -81.304
flat angles P-C4'-P energy: -59.921
tors. eta vs tors. theta energy: -34.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -848.680062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.680062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.680062 (E_RNA)
where:
Base-Base interactions energy: -536.666
where: short stacking energy: -237.272
Base-Backbone interact. energy: 2.496
local terms energy: -314.510744
where:
bonds (distance) C4'-P energy: -68.129
bonds (distance) P-C4' energy: -91.765
flat angles C4'-P-C4' energy: -79.913
flat angles P-C4'-P energy: -43.151
tors. eta vs tors. theta energy: -31.553
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: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -580.425550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.425550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.425550 (E_RNA)
where:
Base-Base interactions energy: -294.291
where: short stacking energy: -163.723
Base-Backbone interact. energy: 0.061
local terms energy: -286.195624
where:
bonds (distance) C4'-P energy: -78.565
bonds (distance) P-C4' energy: -81.438
flat angles C4'-P-C4' energy: -62.655
flat angles P-C4'-P energy: -51.993
tors. eta vs tors. theta energy: -11.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1810.459838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.459838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.459838 (E_RNA)
where:
Base-Base interactions energy: -1229.491
where: short stacking energy: -531.059
Base-Backbone interact. energy: -1.115
local terms energy: -579.854204
where:
bonds (distance) C4'-P energy: -103.065
bonds (distance) P-C4' energy: -104.061
flat angles C4'-P-C4' energy: -129.019
flat angles P-C4'-P energy: -81.090
tors. eta vs tors. theta energy: -162.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1666.155054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.155054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.155054 (E_RNA)
where:
Base-Base interactions energy: -1153.706
where: short stacking energy: -491.323
Base-Backbone interact. energy: 4.357
local terms energy: -516.806159
where:
bonds (distance) C4'-P energy: -89.645
bonds (distance) P-C4' energy: -96.330
flat angles C4'-P-C4' energy: -120.863
flat angles P-C4'-P energy: -67.747
tors. eta vs tors. theta energy: -142.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1587.608200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.608200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.608200 (E_RNA)
where:
Base-Base interactions energy: -1056.922
where: short stacking energy: -473.489
Base-Backbone interact. energy: -0.573
local terms energy: -530.112890
where:
bonds (distance) C4'-P energy: -105.819
bonds (distance) P-C4' energy: -94.920
flat angles C4'-P-C4' energy: -110.622
flat angles P-C4'-P energy: -78.916
tors. eta vs tors. theta energy: -139.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1376.538429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.538429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.538429 (E_RNA)
where:
Base-Base interactions energy: -937.662
where: short stacking energy: -420.081
Base-Backbone interact. energy: -0.763
local terms energy: -438.113581
where:
bonds (distance) C4'-P energy: -91.842
bonds (distance) P-C4' energy: -91.889
flat angles C4'-P-C4' energy: -98.887
flat angles P-C4'-P energy: -51.203
tors. eta vs tors. theta energy: -104.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1455.861464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.861464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.861464 (E_RNA)
where:
Base-Base interactions energy: -972.338
where: short stacking energy: -411.374
Base-Backbone interact. energy: -1.498
local terms energy: -482.025239
where:
bonds (distance) C4'-P energy: -92.118
bonds (distance) P-C4' energy: -102.109
flat angles C4'-P-C4' energy: -110.801
flat angles P-C4'-P energy: -70.609
tors. eta vs tors. theta energy: -106.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1305.343833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.343833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.343833 (E_RNA)
where:
Base-Base interactions energy: -860.442
where: short stacking energy: -373.387
Base-Backbone interact. energy: 0.764
local terms energy: -445.665574
where:
bonds (distance) C4'-P energy: -82.354
bonds (distance) P-C4' energy: -89.473
flat angles C4'-P-C4' energy: -102.701
flat angles P-C4'-P energy: -70.358
tors. eta vs tors. theta energy: -100.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1166.792900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.792900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.792900 (E_RNA)
where:
Base-Base interactions energy: -756.993
where: short stacking energy: -349.030
Base-Backbone interact. energy: -1.124
local terms energy: -408.676006
where:
bonds (distance) C4'-P energy: -85.209
bonds (distance) P-C4' energy: -79.708
flat angles C4'-P-C4' energy: -93.828
flat angles P-C4'-P energy: -55.350
tors. eta vs tors. theta energy: -94.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -874.395650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.395650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.395650 (E_RNA)
where:
Base-Base interactions energy: -537.310
where: short stacking energy: -250.208
Base-Backbone interact. energy: 1.378
local terms energy: -338.463745
where:
bonds (distance) C4'-P energy: -76.703
bonds (distance) P-C4' energy: -86.816
flat angles C4'-P-C4' energy: -74.898
flat angles P-C4'-P energy: -78.674
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -840.399343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.399343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.399343 (E_RNA)
where:
Base-Base interactions energy: -488.821
where: short stacking energy: -236.119
Base-Backbone interact. energy: -0.824
local terms energy: -350.754467
where:
bonds (distance) C4'-P energy: -92.742
bonds (distance) P-C4' energy: -86.351
flat angles C4'-P-C4' energy: -76.223
flat angles P-C4'-P energy: -54.170
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -609.947198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.947198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.947198 (E_RNA)
where:
Base-Base interactions energy: -319.235
where: short stacking energy: -185.808
Base-Backbone interact. energy: 3.170
local terms energy: -293.882039
where:
bonds (distance) C4'-P energy: -72.322
bonds (distance) P-C4' energy: -95.513
flat angles C4'-P-C4' energy: -74.534
flat angles P-C4'-P energy: -41.548
tors. eta vs tors. theta energy: -9.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1801.470989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.470989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.470989 (E_RNA)
where:
Base-Base interactions energy: -1247.835
where: short stacking energy: -521.265
Base-Backbone interact. energy: -1.431
local terms energy: -552.205596
where:
bonds (distance) C4'-P energy: -97.841
bonds (distance) P-C4' energy: -104.885
flat angles C4'-P-C4' energy: -122.053
flat angles P-C4'-P energy: -79.057
tors. eta vs tors. theta energy: -148.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1693.492359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.492359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.492359 (E_RNA)
where:
Base-Base interactions energy: -1163.760
where: short stacking energy: -475.562
Base-Backbone interact. energy: -1.806
local terms energy: -527.926737
where:
bonds (distance) C4'-P energy: -97.386
bonds (distance) P-C4' energy: -103.400
flat angles C4'-P-C4' energy: -117.271
flat angles P-C4'-P energy: -76.196
tors. eta vs tors. theta energy: -133.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1547.469844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.469844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.469844 (E_RNA)
where:
Base-Base interactions energy: -1042.931
where: short stacking energy: -453.356
Base-Backbone interact. energy: -1.015
local terms energy: -503.523350
where:
bonds (distance) C4'-P energy: -94.235
bonds (distance) P-C4' energy: -95.096
flat angles C4'-P-C4' energy: -116.736
flat angles P-C4'-P energy: -80.287
tors. eta vs tors. theta energy: -117.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1510.899169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.899169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.899169 (E_RNA)
where:
Base-Base interactions energy: -1011.319
where: short stacking energy: -464.849
Base-Backbone interact. energy: -4.415
local terms energy: -495.164611
where:
bonds (distance) C4'-P energy: -82.126
bonds (distance) P-C4' energy: -102.881
flat angles C4'-P-C4' energy: -106.197
flat angles P-C4'-P energy: -70.793
tors. eta vs tors. theta energy: -133.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1390.828510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.828510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.828510 (E_RNA)
where:
Base-Base interactions energy: -925.190
where: short stacking energy: -409.955
Base-Backbone interact. energy: -1.431
local terms energy: -464.207926
where:
bonds (distance) C4'-P energy: -102.213
bonds (distance) P-C4' energy: -93.678
flat angles C4'-P-C4' energy: -96.835
flat angles P-C4'-P energy: -68.793
tors. eta vs tors. theta energy: -102.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1319.955479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.955479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.955479 (E_RNA)
where:
Base-Base interactions energy: -886.011
where: short stacking energy: -406.202
Base-Backbone interact. energy: -2.503
local terms energy: -431.441375
where:
bonds (distance) C4'-P energy: -61.074
bonds (distance) P-C4' energy: -101.378
flat angles C4'-P-C4' energy: -102.944
flat angles P-C4'-P energy: -58.730
tors. eta vs tors. theta energy: -107.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1148.042325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.042325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.042325 (E_RNA)
where:
Base-Base interactions energy: -756.473
where: short stacking energy: -350.399
Base-Backbone interact. energy: -1.716
local terms energy: -389.853172
where:
bonds (distance) C4'-P energy: -81.404
bonds (distance) P-C4' energy: -103.636
flat angles C4'-P-C4' energy: -74.565
flat angles P-C4'-P energy: -65.548
tors. eta vs tors. theta energy: -64.700
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: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -924.644740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.644740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.644740 (E_RNA)
where:
Base-Base interactions energy: -561.549
where: short stacking energy: -257.883
Base-Backbone interact. energy: 1.453
local terms energy: -364.549398
where:
bonds (distance) C4'-P energy: -87.094
bonds (distance) P-C4' energy: -102.509
flat angles C4'-P-C4' energy: -98.756
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -26.637
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: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -743.493472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.493472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.493472 (E_RNA)
where:
Base-Base interactions energy: -435.126
where: short stacking energy: -215.124
Base-Backbone interact. energy: -0.006
local terms energy: -308.361388
where:
bonds (distance) C4'-P energy: -95.727
bonds (distance) P-C4' energy: -96.705
flat angles C4'-P-C4' energy: -66.135
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -576.871778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.871778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.871778 (E_RNA)
where:
Base-Base interactions energy: -314.653
where: short stacking energy: -171.466
Base-Backbone interact. energy: 9.632
local terms energy: -271.851489
where:
bonds (distance) C4'-P energy: -72.420
bonds (distance) P-C4' energy: -85.414
flat angles C4'-P-C4' energy: -78.283
flat angles P-C4'-P energy: -41.828
tors. eta vs tors. theta energy: 6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1811.426081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.426081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.426081 (E_RNA)
where:
Base-Base interactions energy: -1261.453
where: short stacking energy: -530.640
Base-Backbone interact. energy: -2.098
local terms energy: -547.874896
where:
bonds (distance) C4'-P energy: -97.466
bonds (distance) P-C4' energy: -93.317
flat angles C4'-P-C4' energy: -110.932
flat angles P-C4'-P energy: -86.689
tors. eta vs tors. theta energy: -159.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1692.159767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.159767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.159767 (E_RNA)
where:
Base-Base interactions energy: -1184.643
where: short stacking energy: -480.163
Base-Backbone interact. energy: -2.085
local terms energy: -505.431394
where:
bonds (distance) C4'-P energy: -94.226
bonds (distance) P-C4' energy: -107.641
flat angles C4'-P-C4' energy: -104.928
flat angles P-C4'-P energy: -72.216
tors. eta vs tors. theta energy: -126.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1568.840868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.840868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.840868 (E_RNA)
where:
Base-Base interactions energy: -1048.267
where: short stacking energy: -471.264
Base-Backbone interact. energy: -4.798
local terms energy: -515.775984
where:
bonds (distance) C4'-P energy: -114.736
bonds (distance) P-C4' energy: -86.014
flat angles C4'-P-C4' energy: -105.175
flat angles P-C4'-P energy: -68.534
tors. eta vs tors. theta energy: -141.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1500.578155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.578155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.578155 (E_RNA)
where:
Base-Base interactions energy: -1021.048
where: short stacking energy: -464.610
Base-Backbone interact. energy: -3.647
local terms energy: -475.882974
where:
bonds (distance) C4'-P energy: -81.784
bonds (distance) P-C4' energy: -94.022
flat angles C4'-P-C4' energy: -97.259
flat angles P-C4'-P energy: -69.001
tors. eta vs tors. theta energy: -133.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1391.334141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.334141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.334141 (E_RNA)
where:
Base-Base interactions energy: -932.181
where: short stacking energy: -415.828
Base-Backbone interact. energy: -1.623
local terms energy: -457.530531
where:
bonds (distance) C4'-P energy: -87.655
bonds (distance) P-C4' energy: -82.012
flat angles C4'-P-C4' energy: -99.542
flat angles P-C4'-P energy: -68.522
tors. eta vs tors. theta energy: -119.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1227.710147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.710147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.710147 (E_RNA)
where:
Base-Base interactions energy: -816.220
where: short stacking energy: -349.530
Base-Backbone interact. energy: 2.639
local terms energy: -414.129621
where:
bonds (distance) C4'-P energy: -84.524
bonds (distance) P-C4' energy: -90.479
flat angles C4'-P-C4' energy: -91.850
flat angles P-C4'-P energy: -55.471
tors. eta vs tors. theta energy: -91.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1116.737109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.737109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.737109 (E_RNA)
where:
Base-Base interactions energy: -726.893
where: short stacking energy: -314.471
Base-Backbone interact. energy: 0.554
local terms energy: -390.397910
where:
bonds (distance) C4'-P energy: -83.441
bonds (distance) P-C4' energy: -95.446
flat angles C4'-P-C4' energy: -90.793
flat angles P-C4'-P energy: -47.768
tors. eta vs tors. theta energy: -72.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -904.180814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.180814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.180814 (E_RNA)
where:
Base-Base interactions energy: -554.363
where: short stacking energy: -238.955
Base-Backbone interact. energy: -2.196
local terms energy: -347.621351
where:
bonds (distance) C4'-P energy: -99.299
bonds (distance) P-C4' energy: -89.982
flat angles C4'-P-C4' energy: -81.990
flat angles P-C4'-P energy: -40.251
tors. eta vs tors. theta energy: -36.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -785.835999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.835999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.835999 (E_RNA)
where:
Base-Base interactions energy: -484.067
where: short stacking energy: -226.220
Base-Backbone interact. energy: -2.326
local terms energy: -299.443487
where:
bonds (distance) C4'-P energy: -73.685
bonds (distance) P-C4' energy: -83.474
flat angles C4'-P-C4' energy: -79.437
flat angles P-C4'-P energy: -38.654
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -541.751726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.751726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.751726 (E_RNA)
where:
Base-Base interactions energy: -249.850
where: short stacking energy: -153.437
Base-Backbone interact. energy: 2.305
local terms energy: -294.206288
where:
bonds (distance) C4'-P energy: -78.033
bonds (distance) P-C4' energy: -86.605
flat angles C4'-P-C4' energy: -71.710
flat angles P-C4'-P energy: -53.359
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1815.305842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.305842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.305842 (E_RNA)
where:
Base-Base interactions energy: -1244.630
where: short stacking energy: -535.309
Base-Backbone interact. energy: -0.616
local terms energy: -570.060279
where:
bonds (distance) C4'-P energy: -111.763
bonds (distance) P-C4' energy: -105.575
flat angles C4'-P-C4' energy: -118.594
flat angles P-C4'-P energy: -67.675
tors. eta vs tors. theta energy: -166.454
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: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1726.160774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.160774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.160774 (E_RNA)
where:
Base-Base interactions energy: -1173.099
where: short stacking energy: -489.654
Base-Backbone interact. energy: 3.056
local terms energy: -556.117734
where:
bonds (distance) C4'-P energy: -104.086
bonds (distance) P-C4' energy: -114.253
flat angles C4'-P-C4' energy: -118.695
flat angles P-C4'-P energy: -73.260
tors. eta vs tors. theta energy: -145.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1566.490657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.490657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.490657 (E_RNA)
where:
Base-Base interactions energy: -1061.157
where: short stacking energy: -481.681
Base-Backbone interact. energy: -1.044
local terms energy: -504.289453
where:
bonds (distance) C4'-P energy: -93.851
bonds (distance) P-C4' energy: -88.459
flat angles C4'-P-C4' energy: -108.093
flat angles P-C4'-P energy: -80.841
tors. eta vs tors. theta energy: -133.045
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: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1487.231411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.231411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.231411 (E_RNA)
where:
Base-Base interactions energy: -1015.985
where: short stacking energy: -426.640
Base-Backbone interact. energy: 0.712
local terms energy: -471.958437
where:
bonds (distance) C4'-P energy: -89.136
bonds (distance) P-C4' energy: -100.860
flat angles C4'-P-C4' energy: -105.012
flat angles P-C4'-P energy: -59.820
tors. eta vs tors. theta energy: -117.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1440.221846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.221846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.221846 (E_RNA)
where:
Base-Base interactions energy: -965.026
where: short stacking energy: -425.871
Base-Backbone interact. energy: -0.970
local terms energy: -474.226278
where:
bonds (distance) C4'-P energy: -83.961
bonds (distance) P-C4' energy: -86.919
flat angles C4'-P-C4' energy: -114.165
flat angles P-C4'-P energy: -63.591
tors. eta vs tors. theta energy: -125.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1264.837701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.837701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.837701 (E_RNA)
where:
Base-Base interactions energy: -852.672
where: short stacking energy: -361.522
Base-Backbone interact. energy: 0.042
local terms energy: -412.207702
where:
bonds (distance) C4'-P energy: -104.825
bonds (distance) P-C4' energy: -91.053
flat angles C4'-P-C4' energy: -81.728
flat angles P-C4'-P energy: -58.063
tors. eta vs tors. theta energy: -76.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1161.427476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.427476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.427476 (E_RNA)
where:
Base-Base interactions energy: -738.143
where: short stacking energy: -334.973
Base-Backbone interact. energy: 1.096
local terms energy: -424.380623
where:
bonds (distance) C4'-P energy: -90.123
bonds (distance) P-C4' energy: -87.720
flat angles C4'-P-C4' energy: -98.698
flat angles P-C4'-P energy: -48.991
tors. eta vs tors. theta energy: -98.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -863.234194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.234194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.234194 (E_RNA)
where:
Base-Base interactions energy: -515.549
where: short stacking energy: -268.002
Base-Backbone interact. energy: -1.320
local terms energy: -346.364984
where:
bonds (distance) C4'-P energy: -71.841
bonds (distance) P-C4' energy: -77.854
flat angles C4'-P-C4' energy: -104.296
flat angles P-C4'-P energy: -53.046
tors. eta vs tors. theta energy: -39.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -855.456440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.456440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.456440 (E_RNA)
where:
Base-Base interactions energy: -536.618
where: short stacking energy: -250.362
Base-Backbone interact. energy: -1.559
local terms energy: -317.279029
where:
bonds (distance) C4'-P energy: -77.928
bonds (distance) P-C4' energy: -85.461
flat angles C4'-P-C4' energy: -80.613
flat angles P-C4'-P energy: -41.520
tors. eta vs tors. theta energy: -31.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -568.143720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.143720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.143720 (E_RNA)
where:
Base-Base interactions energy: -271.060
where: short stacking energy: -147.698
Base-Backbone interact. energy: 0.668
local terms energy: -297.751508
where:
bonds (distance) C4'-P energy: -84.360
bonds (distance) P-C4' energy: -89.722
flat angles C4'-P-C4' energy: -76.239
flat angles P-C4'-P energy: -43.432
tors. eta vs tors. theta energy: -3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1802.666584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.666584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.666584 (E_RNA)
where:
Base-Base interactions energy: -1229.655
where: short stacking energy: -521.315
Base-Backbone interact. energy: -2.409
local terms energy: -570.602972
where:
bonds (distance) C4'-P energy: -91.599
bonds (distance) P-C4' energy: -116.468
flat angles C4'-P-C4' energy: -121.656
flat angles P-C4'-P energy: -81.065
tors. eta vs tors. theta energy: -159.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1686.139146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.139146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.139146 (E_RNA)
where:
Base-Base interactions energy: -1156.821
where: short stacking energy: -472.167
Base-Backbone interact. energy: 2.725
local terms energy: -532.042638
where:
bonds (distance) C4'-P energy: -94.278
bonds (distance) P-C4' energy: -96.779
flat angles C4'-P-C4' energy: -116.772
flat angles P-C4'-P energy: -77.928
tors. eta vs tors. theta energy: -146.285
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: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1542.336453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.336453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.336453 (E_RNA)
where:
Base-Base interactions energy: -1037.851
where: short stacking energy: -451.394
Base-Backbone interact. energy: -1.539
local terms energy: -502.945803
where:
bonds (distance) C4'-P energy: -91.295
bonds (distance) P-C4' energy: -108.423
flat angles C4'-P-C4' energy: -103.394
flat angles P-C4'-P energy: -73.893
tors. eta vs tors. theta energy: -125.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1468.453618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.453618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.453618 (E_RNA)
where:
Base-Base interactions energy: -976.109
where: short stacking energy: -428.620
Base-Backbone interact. energy: -1.760
local terms energy: -490.584323
where:
bonds (distance) C4'-P energy: -89.838
bonds (distance) P-C4' energy: -103.509
flat angles C4'-P-C4' energy: -107.986
flat angles P-C4'-P energy: -70.609
tors. eta vs tors. theta energy: -118.643
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: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1421.825684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.825684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.825684 (E_RNA)
where:
Base-Base interactions energy: -976.069
where: short stacking energy: -396.157
Base-Backbone interact. energy: -1.986
local terms energy: -443.770851
where:
bonds (distance) C4'-P energy: -92.044
bonds (distance) P-C4' energy: -86.166
flat angles C4'-P-C4' energy: -102.107
flat angles P-C4'-P energy: -56.725
tors. eta vs tors. theta energy: -106.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1275.738186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.738186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.738186 (E_RNA)
where:
Base-Base interactions energy: -815.758
where: short stacking energy: -360.426
Base-Backbone interact. energy: -2.394
local terms energy: -457.587060
where:
bonds (distance) C4'-P energy: -104.977
bonds (distance) P-C4' energy: -84.211
flat angles C4'-P-C4' energy: -94.995
flat angles P-C4'-P energy: -72.442
tors. eta vs tors. theta energy: -100.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1185.656354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.656354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.656354 (E_RNA)
where:
Base-Base interactions energy: -762.047
where: short stacking energy: -331.828
Base-Backbone interact. energy: 0.217
local terms energy: -423.826539
where:
bonds (distance) C4'-P energy: -85.519
bonds (distance) P-C4' energy: -84.256
flat angles C4'-P-C4' energy: -106.992
flat angles P-C4'-P energy: -51.778
tors. eta vs tors. theta energy: -95.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -886.182184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.182184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.182184 (E_RNA)
where:
Base-Base interactions energy: -528.650
where: short stacking energy: -262.245
Base-Backbone interact. energy: 4.416
local terms energy: -361.948665
where:
bonds (distance) C4'-P energy: -85.225
bonds (distance) P-C4' energy: -89.328
flat angles C4'-P-C4' energy: -86.829
flat angles P-C4'-P energy: -50.412
tors. eta vs tors. theta energy: -50.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -876.217120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.217120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.217120 (E_RNA)
where:
Base-Base interactions energy: -551.645
where: short stacking energy: -237.353
Base-Backbone interact. energy: -1.126
local terms energy: -323.446319
where:
bonds (distance) C4'-P energy: -60.965
bonds (distance) P-C4' energy: -91.054
flat angles C4'-P-C4' energy: -77.112
flat angles P-C4'-P energy: -60.969
tors. eta vs tors. theta energy: -33.347
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: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -518.306638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.306638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.306638 (E_RNA)
where:
Base-Base interactions energy: -225.452
where: short stacking energy: -128.540
Base-Backbone interact. energy: 0.043
local terms energy: -292.898109
where:
bonds (distance) C4'-P energy: -94.475
bonds (distance) P-C4' energy: -88.375
flat angles C4'-P-C4' energy: -61.985
flat angles P-C4'-P energy: -56.057
tors. eta vs tors. theta energy: 7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1805.137363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.137363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.137363 (E_RNA)
where:
Base-Base interactions energy: -1238.565
where: short stacking energy: -514.692
Base-Backbone interact. energy: -1.900
local terms energy: -564.672100
where:
bonds (distance) C4'-P energy: -95.686
bonds (distance) P-C4' energy: -96.206
flat angles C4'-P-C4' energy: -122.664
flat angles P-C4'-P energy: -85.293
tors. eta vs tors. theta energy: -164.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1695.674490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.674490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.674490 (E_RNA)
where:
Base-Base interactions energy: -1192.785
where: short stacking energy: -498.543
Base-Backbone interact. energy: 3.355
local terms energy: -506.245284
where:
bonds (distance) C4'-P energy: -80.091
bonds (distance) P-C4' energy: -96.322
flat angles C4'-P-C4' energy: -109.448
flat angles P-C4'-P energy: -78.208
tors. eta vs tors. theta energy: -142.176
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: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1542.830863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.830863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.830863 (E_RNA)
where:
Base-Base interactions energy: -1041.320
where: short stacking energy: -468.161
Base-Backbone interact. energy: -1.918
local terms energy: -499.593318
where:
bonds (distance) C4'-P energy: -88.445
bonds (distance) P-C4' energy: -94.845
flat angles C4'-P-C4' energy: -111.203
flat angles P-C4'-P energy: -74.825
tors. eta vs tors. theta energy: -130.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1494.412116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.412116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.412116 (E_RNA)
where:
Base-Base interactions energy: -999.657
where: short stacking energy: -433.038
Base-Backbone interact. energy: -0.758
local terms energy: -493.996872
where:
bonds (distance) C4'-P energy: -104.622
bonds (distance) P-C4' energy: -90.597
flat angles C4'-P-C4' energy: -108.084
flat angles P-C4'-P energy: -65.357
tors. eta vs tors. theta energy: -125.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1430.269079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.269079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.269079 (E_RNA)
where:
Base-Base interactions energy: -937.990
where: short stacking energy: -425.395
Base-Backbone interact. energy: -2.276
local terms energy: -490.003117
where:
bonds (distance) C4'-P energy: -103.866
bonds (distance) P-C4' energy: -94.718
flat angles C4'-P-C4' energy: -99.665
flat angles P-C4'-P energy: -71.875
tors. eta vs tors. theta energy: -119.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1261.255944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.255944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.255944 (E_RNA)
where:
Base-Base interactions energy: -818.778
where: short stacking energy: -355.481
Base-Backbone interact. energy: -0.705
local terms energy: -441.773185
where:
bonds (distance) C4'-P energy: -95.594
bonds (distance) P-C4' energy: -90.754
flat angles C4'-P-C4' energy: -103.216
flat angles P-C4'-P energy: -67.847
tors. eta vs tors. theta energy: -84.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1162.637592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.637592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.637592 (E_RNA)
where:
Base-Base interactions energy: -755.999
where: short stacking energy: -324.888
Base-Backbone interact. energy: -2.138
local terms energy: -404.500399
where:
bonds (distance) C4'-P energy: -79.347
bonds (distance) P-C4' energy: -81.249
flat angles C4'-P-C4' energy: -98.886
flat angles P-C4'-P energy: -67.858
tors. eta vs tors. theta energy: -77.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -967.963993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.963993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.963993 (E_RNA)
where:
Base-Base interactions energy: -620.787
where: short stacking energy: -268.710
Base-Backbone interact. energy: 0.416
local terms energy: -347.593245
where:
bonds (distance) C4'-P energy: -84.482
bonds (distance) P-C4' energy: -83.058
flat angles C4'-P-C4' energy: -85.108
flat angles P-C4'-P energy: -59.567
tors. eta vs tors. theta energy: -35.378
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: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -876.306184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.306184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.306184 (E_RNA)
where:
Base-Base interactions energy: -546.145
where: short stacking energy: -260.369
Base-Backbone interact. energy: 1.239
local terms energy: -331.400939
where:
bonds (distance) C4'-P energy: -85.124
bonds (distance) P-C4' energy: -82.318
flat angles C4'-P-C4' energy: -80.168
flat angles P-C4'-P energy: -51.122
tors. eta vs tors. theta energy: -32.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -482.860254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.860254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.860254 (E_RNA)
where:
Base-Base interactions energy: -220.284
where: short stacking energy: -114.817
Base-Backbone interact. energy: -1.002
local terms energy: -261.574306
where:
bonds (distance) C4'-P energy: -78.147
bonds (distance) P-C4' energy: -94.708
flat angles C4'-P-C4' energy: -73.005
flat angles P-C4'-P energy: -30.620
tors. eta vs tors. theta energy: 14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1810.281000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.281000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.281000 (E_RNA)
where:
Base-Base interactions energy: -1240.531
where: short stacking energy: -521.276
Base-Backbone interact. energy: -2.280
local terms energy: -567.469668
where:
bonds (distance) C4'-P energy: -98.662
bonds (distance) P-C4' energy: -113.251
flat angles C4'-P-C4' energy: -120.883
flat angles P-C4'-P energy: -74.448
tors. eta vs tors. theta energy: -160.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1711.398235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.398235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.398235 (E_RNA)
where:
Base-Base interactions energy: -1178.745
where: short stacking energy: -486.479
Base-Backbone interact. energy: 0.739
local terms energy: -533.392187
where:
bonds (distance) C4'-P energy: -88.905
bonds (distance) P-C4' energy: -99.486
flat angles C4'-P-C4' energy: -119.540
flat angles P-C4'-P energy: -79.582
tors. eta vs tors. theta energy: -145.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1544.870629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.870629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.870629 (E_RNA)
where:
Base-Base interactions energy: -1041.341
where: short stacking energy: -483.515
Base-Backbone interact. energy: 1.095
local terms energy: -504.624995
where:
bonds (distance) C4'-P energy: -92.344
bonds (distance) P-C4' energy: -95.620
flat angles C4'-P-C4' energy: -109.583
flat angles P-C4'-P energy: -66.041
tors. eta vs tors. theta energy: -141.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1482.464814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.464814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.464814 (E_RNA)
where:
Base-Base interactions energy: -1004.297
where: short stacking energy: -431.825
Base-Backbone interact. energy: -3.263
local terms energy: -474.905579
where:
bonds (distance) C4'-P energy: -101.071
bonds (distance) P-C4' energy: -93.770
flat angles C4'-P-C4' energy: -104.504
flat angles P-C4'-P energy: -59.192
tors. eta vs tors. theta energy: -116.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1344.999553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.999553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.999553 (E_RNA)
where:
Base-Base interactions energy: -886.892
where: short stacking energy: -382.896
Base-Backbone interact. energy: -1.722
local terms energy: -456.384983
where:
bonds (distance) C4'-P energy: -86.540
bonds (distance) P-C4' energy: -95.504
flat angles C4'-P-C4' energy: -111.552
flat angles P-C4'-P energy: -59.963
tors. eta vs tors. theta energy: -102.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1305.500409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.500409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.500409 (E_RNA)
where:
Base-Base interactions energy: -875.569
where: short stacking energy: -395.521
Base-Backbone interact. energy: -2.426
local terms energy: -427.504778
where:
bonds (distance) C4'-P energy: -77.665
bonds (distance) P-C4' energy: -93.057
flat angles C4'-P-C4' energy: -96.157
flat angles P-C4'-P energy: -45.325
tors. eta vs tors. theta energy: -115.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1183.407444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.407444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.407444 (E_RNA)
where:
Base-Base interactions energy: -775.027
where: short stacking energy: -337.237
Base-Backbone interact. energy: -2.013
local terms energy: -406.367701
where:
bonds (distance) C4'-P energy: -71.950
bonds (distance) P-C4' energy: -88.480
flat angles C4'-P-C4' energy: -92.296
flat angles P-C4'-P energy: -56.566
tors. eta vs tors. theta energy: -97.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -937.467422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.467422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.467422 (E_RNA)
where:
Base-Base interactions energy: -555.848
where: short stacking energy: -240.120
Base-Backbone interact. energy: -2.350
local terms energy: -379.269172
where:
bonds (distance) C4'-P energy: -89.392
bonds (distance) P-C4' energy: -101.487
flat angles C4'-P-C4' energy: -82.973
flat angles P-C4'-P energy: -61.413
tors. eta vs tors. theta energy: -44.004
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: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -883.183599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.183599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.183599 (E_RNA)
where:
Base-Base interactions energy: -539.224
where: short stacking energy: -265.337
Base-Backbone interact. energy: 2.768
local terms energy: -346.726840
where:
bonds (distance) C4'-P energy: -72.857
bonds (distance) P-C4' energy: -107.973
flat angles C4'-P-C4' energy: -77.593
flat angles P-C4'-P energy: -39.278
tors. eta vs tors. theta energy: -49.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -478.481054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.481054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.481054 (E_RNA)
where:
Base-Base interactions energy: -214.714
where: short stacking energy: -122.259
Base-Backbone interact. energy: 1.607
local terms energy: -265.373723
where:
bonds (distance) C4'-P energy: -72.774
bonds (distance) P-C4' energy: -80.127
flat angles C4'-P-C4' energy: -86.364
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: 20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1802.308179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.308179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.308179 (E_RNA)
where:
Base-Base interactions energy: -1261.941
where: short stacking energy: -531.254
Base-Backbone interact. energy: 0.510
local terms energy: -540.877505
where:
bonds (distance) C4'-P energy: -94.461
bonds (distance) P-C4' energy: -94.643
flat angles C4'-P-C4' energy: -113.479
flat angles P-C4'-P energy: -70.711
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: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1699.612287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.612287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.612287 (E_RNA)
where:
Base-Base interactions energy: -1199.104
where: short stacking energy: -499.859
Base-Backbone interact. energy: -2.061
local terms energy: -498.447196
where:
bonds (distance) C4'-P energy: -96.027
bonds (distance) P-C4' energy: -88.835
flat angles C4'-P-C4' energy: -101.045
flat angles P-C4'-P energy: -68.203
tors. eta vs tors. theta energy: -144.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1567.843354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.843354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.843354 (E_RNA)
where:
Base-Base interactions energy: -1034.176
where: short stacking energy: -461.391
Base-Backbone interact. energy: -0.725
local terms energy: -532.942334
where:
bonds (distance) C4'-P energy: -104.619
bonds (distance) P-C4' energy: -101.757
flat angles C4'-P-C4' energy: -112.643
flat angles P-C4'-P energy: -69.895
tors. eta vs tors. theta energy: -144.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1510.970763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.970763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.970763 (E_RNA)
where:
Base-Base interactions energy: -1007.367
where: short stacking energy: -450.646
Base-Backbone interact. energy: 0.412
local terms energy: -504.015877
where:
bonds (distance) C4'-P energy: -79.342
bonds (distance) P-C4' energy: -108.563
flat angles C4'-P-C4' energy: -107.044
flat angles P-C4'-P energy: -79.384
tors. eta vs tors. theta energy: -129.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1403.773724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.773724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.773724 (E_RNA)
where:
Base-Base interactions energy: -942.489
where: short stacking energy: -413.585
Base-Backbone interact. energy: -1.097
local terms energy: -460.188296
where:
bonds (distance) C4'-P energy: -84.760
bonds (distance) P-C4' energy: -95.485
flat angles C4'-P-C4' energy: -101.140
flat angles P-C4'-P energy: -53.484
tors. eta vs tors. theta energy: -125.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1349.242240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.242240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.242240 (E_RNA)
where:
Base-Base interactions energy: -892.456
where: short stacking energy: -403.814
Base-Backbone interact. energy: -3.198
local terms energy: -453.588815
where:
bonds (distance) C4'-P energy: -78.501
bonds (distance) P-C4' energy: -96.652
flat angles C4'-P-C4' energy: -99.719
flat angles P-C4'-P energy: -68.779
tors. eta vs tors. theta energy: -109.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1232.172570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.172570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.172570 (E_RNA)
where:
Base-Base interactions energy: -806.844
where: short stacking energy: -368.398
Base-Backbone interact. energy: -0.131
local terms energy: -425.196979
where:
bonds (distance) C4'-P energy: -82.832
bonds (distance) P-C4' energy: -97.287
flat angles C4'-P-C4' energy: -99.246
flat angles P-C4'-P energy: -47.881
tors. eta vs tors. theta energy: -97.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -929.742405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.742405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.742405 (E_RNA)
where:
Base-Base interactions energy: -566.111
where: short stacking energy: -282.951
Base-Backbone interact. energy: -2.509
local terms energy: -361.122551
where:
bonds (distance) C4'-P energy: -92.216
bonds (distance) P-C4' energy: -87.189
flat angles C4'-P-C4' energy: -75.801
flat angles P-C4'-P energy: -47.373
tors. eta vs tors. theta energy: -58.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -876.059127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.059127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.059127 (E_RNA)
where:
Base-Base interactions energy: -534.488
where: short stacking energy: -241.505
Base-Backbone interact. energy: -1.029
local terms energy: -340.542419
where:
bonds (distance) C4'-P energy: -85.033
bonds (distance) P-C4' energy: -79.008
flat angles C4'-P-C4' energy: -83.772
flat angles P-C4'-P energy: -50.350
tors. eta vs tors. theta energy: -42.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -500.400754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.400754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.400754 (E_RNA)
where:
Base-Base interactions energy: -249.909
where: short stacking energy: -134.960
Base-Backbone interact. energy: -1.925
local terms energy: -248.567318
where:
bonds (distance) C4'-P energy: -64.017
bonds (distance) P-C4' energy: -84.531
flat angles C4'-P-C4' energy: -73.965
flat angles P-C4'-P energy: -42.222
tors. eta vs tors. theta energy: 16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1813.106709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.106709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.106709 (E_RNA)
where:
Base-Base interactions energy: -1225.373
where: short stacking energy: -529.370
Base-Backbone interact. energy: -1.317
local terms energy: -586.417510
where:
bonds (distance) C4'-P energy: -107.981
bonds (distance) P-C4' energy: -111.403
flat angles C4'-P-C4' energy: -119.630
flat angles P-C4'-P energy: -88.075
tors. eta vs tors. theta energy: -159.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1729.765000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.765000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.765000 (E_RNA)
where:
Base-Base interactions energy: -1178.218
where: short stacking energy: -481.022
Base-Backbone interact. energy: -2.321
local terms energy: -549.226167
where:
bonds (distance) C4'-P energy: -109.946
bonds (distance) P-C4' energy: -107.992
flat angles C4'-P-C4' energy: -115.326
flat angles P-C4'-P energy: -70.610
tors. eta vs tors. theta energy: -145.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1558.145320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.145320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.145320 (E_RNA)
where:
Base-Base interactions energy: -1040.497
where: short stacking energy: -468.500
Base-Backbone interact. energy: -2.075
local terms energy: -515.573669
where:
bonds (distance) C4'-P energy: -104.828
bonds (distance) P-C4' energy: -92.962
flat angles C4'-P-C4' energy: -108.336
flat angles P-C4'-P energy: -66.633
tors. eta vs tors. theta energy: -142.814
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: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1522.918976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.918976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.918976 (E_RNA)
where:
Base-Base interactions energy: -1031.793
where: short stacking energy: -467.923
Base-Backbone interact. energy: 1.669
local terms energy: -492.795057
where:
bonds (distance) C4'-P energy: -97.121
bonds (distance) P-C4' energy: -100.044
flat angles C4'-P-C4' energy: -94.515
flat angles P-C4'-P energy: -70.959
tors. eta vs tors. theta energy: -130.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1412.854216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.854216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.854216 (E_RNA)
where:
Base-Base interactions energy: -933.571
where: short stacking energy: -411.546
Base-Backbone interact. energy: 0.329
local terms energy: -479.612429
where:
bonds (distance) C4'-P energy: -98.870
bonds (distance) P-C4' energy: -100.405
flat angles C4'-P-C4' energy: -98.168
flat angles P-C4'-P energy: -68.858
tors. eta vs tors. theta energy: -113.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1261.118088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.118088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.118088 (E_RNA)
where:
Base-Base interactions energy: -829.415
where: short stacking energy: -358.123
Base-Backbone interact. energy: -2.459
local terms energy: -429.244199
where:
bonds (distance) C4'-P energy: -85.722
bonds (distance) P-C4' energy: -105.242
flat angles C4'-P-C4' energy: -86.017
flat angles P-C4'-P energy: -65.564
tors. eta vs tors. theta energy: -86.700
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: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1193.322238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.322238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.322238 (E_RNA)
where:
Base-Base interactions energy: -755.545
where: short stacking energy: -345.658
Base-Backbone interact. energy: -2.794
local terms energy: -434.983412
where:
bonds (distance) C4'-P energy: -92.578
bonds (distance) P-C4' energy: -86.207
flat angles C4'-P-C4' energy: -111.148
flat angles P-C4'-P energy: -65.741
tors. eta vs tors. theta energy: -79.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -974.607061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.607061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.607061 (E_RNA)
where:
Base-Base interactions energy: -589.946
where: short stacking energy: -265.154
Base-Backbone interact. energy: 1.587
local terms energy: -386.247726
where:
bonds (distance) C4'-P energy: -90.942
bonds (distance) P-C4' energy: -103.244
flat angles C4'-P-C4' energy: -80.612
flat angles P-C4'-P energy: -57.562
tors. eta vs tors. theta energy: -53.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -884.597794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.597794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.597794 (E_RNA)
where:
Base-Base interactions energy: -546.202
where: short stacking energy: -248.241
Base-Backbone interact. energy: -2.542
local terms energy: -335.853844
where:
bonds (distance) C4'-P energy: -73.020
bonds (distance) P-C4' energy: -93.143
flat angles C4'-P-C4' energy: -75.754
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -49.689
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: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -540.599798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.599798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.599798 (E_RNA)
where:
Base-Base interactions energy: -267.761
where: short stacking energy: -158.468
Base-Backbone interact. energy: 2.723
local terms energy: -275.562588
where:
bonds (distance) C4'-P energy: -86.018
bonds (distance) P-C4' energy: -82.647
flat angles C4'-P-C4' energy: -73.630
flat angles P-C4'-P energy: -37.572
tors. eta vs tors. theta energy: 4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1816.675420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.675420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.675420 (E_RNA)
where:
Base-Base interactions energy: -1218.534
where: short stacking energy: -543.653
Base-Backbone interact. energy: -2.205
local terms energy: -595.936116
where:
bonds (distance) C4'-P energy: -107.337
bonds (distance) P-C4' energy: -105.877
flat angles C4'-P-C4' energy: -121.857
flat angles P-C4'-P energy: -90.223
tors. eta vs tors. theta energy: -170.642
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: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1705.108584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.108584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.108584 (E_RNA)
where:
Base-Base interactions energy: -1186.617
where: short stacking energy: -483.954
Base-Backbone interact. energy: -2.913
local terms energy: -515.578819
where:
bonds (distance) C4'-P energy: -106.234
bonds (distance) P-C4' energy: -101.131
flat angles C4'-P-C4' energy: -107.836
flat angles P-C4'-P energy: -63.407
tors. eta vs tors. theta energy: -136.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1550.926876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.926876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.926876 (E_RNA)
where:
Base-Base interactions energy: -1049.350
where: short stacking energy: -469.839
Base-Backbone interact. energy: 2.933
local terms energy: -504.510508
where:
bonds (distance) C4'-P energy: -98.793
bonds (distance) P-C4' energy: -100.513
flat angles C4'-P-C4' energy: -105.997
flat angles P-C4'-P energy: -63.746
tors. eta vs tors. theta energy: -135.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1504.330745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.330745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.330745 (E_RNA)
where:
Base-Base interactions energy: -1013.810
where: short stacking energy: -433.301
Base-Backbone interact. energy: 0.562
local terms energy: -491.082562
where:
bonds (distance) C4'-P energy: -95.203
bonds (distance) P-C4' energy: -89.314
flat angles C4'-P-C4' energy: -104.988
flat angles P-C4'-P energy: -72.939
tors. eta vs tors. theta energy: -128.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1388.459722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.459722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.459722 (E_RNA)
where:
Base-Base interactions energy: -915.978
where: short stacking energy: -402.547
Base-Backbone interact. energy: 0.145
local terms energy: -472.626283
where:
bonds (distance) C4'-P energy: -89.238
bonds (distance) P-C4' energy: -93.479
flat angles C4'-P-C4' energy: -103.752
flat angles P-C4'-P energy: -70.001
tors. eta vs tors. theta energy: -116.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1268.899533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.899533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.899533 (E_RNA)
where:
Base-Base interactions energy: -807.750
where: short stacking energy: -377.551
Base-Backbone interact. energy: -3.211
local terms energy: -457.938421
where:
bonds (distance) C4'-P energy: -93.915
bonds (distance) P-C4' energy: -92.816
flat angles C4'-P-C4' energy: -97.649
flat angles P-C4'-P energy: -71.227
tors. eta vs tors. theta energy: -102.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1180.230086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.230086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.230086 (E_RNA)
where:
Base-Base interactions energy: -785.000
where: short stacking energy: -355.472
Base-Backbone interact. energy: -0.755
local terms energy: -394.474624
where:
bonds (distance) C4'-P energy: -84.125
bonds (distance) P-C4' energy: -86.137
flat angles C4'-P-C4' energy: -88.594
flat angles P-C4'-P energy: -54.709
tors. eta vs tors. theta energy: -80.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -954.412416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.412416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.412416 (E_RNA)
where:
Base-Base interactions energy: -592.249
where: short stacking energy: -266.648
Base-Backbone interact. energy: 0.996
local terms energy: -363.159275
where:
bonds (distance) C4'-P energy: -80.525
bonds (distance) P-C4' energy: -82.323
flat angles C4'-P-C4' energy: -89.438
flat angles P-C4'-P energy: -58.460
tors. eta vs tors. theta energy: -52.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -869.613595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.613595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.613595 (E_RNA)
where:
Base-Base interactions energy: -508.735
where: short stacking energy: -238.461
Base-Backbone interact. energy: -2.314
local terms energy: -358.565191
where:
bonds (distance) C4'-P energy: -79.439
bonds (distance) P-C4' energy: -96.589
flat angles C4'-P-C4' energy: -80.867
flat angles P-C4'-P energy: -58.017
tors. eta vs tors. theta energy: -43.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -543.613908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.613908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.613908 (E_RNA)
where:
Base-Base interactions energy: -261.808
where: short stacking energy: -146.698
Base-Backbone interact. energy: 6.703
local terms energy: -288.508824
where:
bonds (distance) C4'-P energy: -66.410
bonds (distance) P-C4' energy: -88.427
flat angles C4'-P-C4' energy: -68.811
flat angles P-C4'-P energy: -51.249
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1820.342183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.342183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.342183 (E_RNA)
where:
Base-Base interactions energy: -1258.862
where: short stacking energy: -547.643
Base-Backbone interact. energy: -2.386
local terms energy: -559.093742
where:
bonds (distance) C4'-P energy: -98.727
bonds (distance) P-C4' energy: -99.208
flat angles C4'-P-C4' energy: -119.119
flat angles P-C4'-P energy: -77.294
tors. eta vs tors. theta energy: -164.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1706.886949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.886949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.886949 (E_RNA)
where:
Base-Base interactions energy: -1179.053
where: short stacking energy: -491.861
Base-Backbone interact. energy: -0.285
local terms energy: -527.549711
where:
bonds (distance) C4'-P energy: -104.332
bonds (distance) P-C4' energy: -88.318
flat angles C4'-P-C4' energy: -116.508
flat angles P-C4'-P energy: -71.018
tors. eta vs tors. theta energy: -147.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1541.777346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.777346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.777346 (E_RNA)
where:
Base-Base interactions energy: -1043.784
where: short stacking energy: -458.838
Base-Backbone interact. energy: -0.668
local terms energy: -497.326197
where:
bonds (distance) C4'-P energy: -83.668
bonds (distance) P-C4' energy: -96.298
flat angles C4'-P-C4' energy: -112.283
flat angles P-C4'-P energy: -72.835
tors. eta vs tors. theta energy: -132.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1493.608534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.608534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.608534 (E_RNA)
where:
Base-Base interactions energy: -1003.974
where: short stacking energy: -457.216
Base-Backbone interact. energy: -1.089
local terms energy: -488.545817
where:
bonds (distance) C4'-P energy: -79.826
bonds (distance) P-C4' energy: -95.680
flat angles C4'-P-C4' energy: -110.849
flat angles P-C4'-P energy: -69.298
tors. eta vs tors. theta energy: -132.892
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: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1341.753313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.753313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.753313 (E_RNA)
where:
Base-Base interactions energy: -888.648
where: short stacking energy: -402.789
Base-Backbone interact. energy: -2.050
local terms energy: -451.054464
where:
bonds (distance) C4'-P energy: -89.435
bonds (distance) P-C4' energy: -97.460
flat angles C4'-P-C4' energy: -84.973
flat angles P-C4'-P energy: -65.323
tors. eta vs tors. theta energy: -113.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1268.950825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.950825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.950825 (E_RNA)
where:
Base-Base interactions energy: -833.381
where: short stacking energy: -380.884
Base-Backbone interact. energy: -0.561
local terms energy: -435.009023
where:
bonds (distance) C4'-P energy: -84.210
bonds (distance) P-C4' energy: -96.575
flat angles C4'-P-C4' energy: -87.873
flat angles P-C4'-P energy: -77.321
tors. eta vs tors. theta energy: -89.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1113.403475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.403475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.403475 (E_RNA)
where:
Base-Base interactions energy: -726.760
where: short stacking energy: -325.511
Base-Backbone interact. energy: -2.085
local terms energy: -384.558654
where:
bonds (distance) C4'-P energy: -78.569
bonds (distance) P-C4' energy: -93.507
flat angles C4'-P-C4' energy: -88.593
flat angles P-C4'-P energy: -55.317
tors. eta vs tors. theta energy: -68.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -942.110467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.110467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.110467 (E_RNA)
where:
Base-Base interactions energy: -564.982
where: short stacking energy: -251.517
Base-Backbone interact. energy: 7.244
local terms energy: -384.372135
where:
bonds (distance) C4'-P energy: -93.741
bonds (distance) P-C4' energy: -100.165
flat angles C4'-P-C4' energy: -90.161
flat angles P-C4'-P energy: -68.981
tors. eta vs tors. theta energy: -31.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -855.351911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.351911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.351911 (E_RNA)
where:
Base-Base interactions energy: -507.410
where: short stacking energy: -250.948
Base-Backbone interact. energy: -2.277
local terms energy: -345.664484
where:
bonds (distance) C4'-P energy: -83.525
bonds (distance) P-C4' energy: -83.883
flat angles C4'-P-C4' energy: -76.860
flat angles P-C4'-P energy: -50.302
tors. eta vs tors. theta energy: -51.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -531.750170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.750170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.750170 (E_RNA)
where:
Base-Base interactions energy: -273.117
where: short stacking energy: -163.098
Base-Backbone interact. energy: 2.033
local terms energy: -260.666444
where:
bonds (distance) C4'-P energy: -78.091
bonds (distance) P-C4' energy: -65.860
flat angles C4'-P-C4' energy: -65.196
flat angles P-C4'-P energy: -47.492
tors. eta vs tors. theta energy: -4.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1825.119491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.119491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.119491 (E_RNA)
where:
Base-Base interactions energy: -1268.620
where: short stacking energy: -552.913
Base-Backbone interact. energy: -0.350
local terms energy: -556.148862
where:
bonds (distance) C4'-P energy: -93.861
bonds (distance) P-C4' energy: -101.288
flat angles C4'-P-C4' energy: -116.443
flat angles P-C4'-P energy: -72.007
tors. eta vs tors. theta energy: -172.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1730.007962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.007962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.007962 (E_RNA)
where:
Base-Base interactions energy: -1211.250
where: short stacking energy: -497.847
Base-Backbone interact. energy: -1.743
local terms energy: -517.015356
where:
bonds (distance) C4'-P energy: -85.450
bonds (distance) P-C4' energy: -101.922
flat angles C4'-P-C4' energy: -114.913
flat angles P-C4'-P energy: -70.299
tors. eta vs tors. theta energy: -144.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1580.361967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.361967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.361967 (E_RNA)
where:
Base-Base interactions energy: -1060.534
where: short stacking energy: -463.247
Base-Backbone interact. energy: -1.281
local terms energy: -518.546354
where:
bonds (distance) C4'-P energy: -101.861
bonds (distance) P-C4' energy: -91.351
flat angles C4'-P-C4' energy: -107.978
flat angles P-C4'-P energy: -84.861
tors. eta vs tors. theta energy: -132.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1505.397576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.397576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.397576 (E_RNA)
where:
Base-Base interactions energy: -1034.610
where: short stacking energy: -444.417
Base-Backbone interact. energy: 3.702
local terms energy: -474.489490
where:
bonds (distance) C4'-P energy: -83.303
bonds (distance) P-C4' energy: -99.316
flat angles C4'-P-C4' energy: -97.004
flat angles P-C4'-P energy: -58.028
tors. eta vs tors. theta energy: -136.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1403.977798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.977798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.977798 (E_RNA)
where:
Base-Base interactions energy: -914.995
where: short stacking energy: -413.230
Base-Backbone interact. energy: -1.991
local terms energy: -486.991640
where:
bonds (distance) C4'-P energy: -94.728
bonds (distance) P-C4' energy: -99.319
flat angles C4'-P-C4' energy: -111.239
flat angles P-C4'-P energy: -61.872
tors. eta vs tors. theta energy: -119.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1223.653729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.653729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.653729 (E_RNA)
where:
Base-Base interactions energy: -793.375
where: short stacking energy: -348.440
Base-Backbone interact. energy: -0.482
local terms energy: -429.796995
where:
bonds (distance) C4'-P energy: -91.532
bonds (distance) P-C4' energy: -79.762
flat angles C4'-P-C4' energy: -104.418
flat angles P-C4'-P energy: -57.166
tors. eta vs tors. theta energy: -96.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1087.461250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.461250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.461250 (E_RNA)
where:
Base-Base interactions energy: -702.513
where: short stacking energy: -311.377
Base-Backbone interact. energy: -2.822
local terms energy: -382.126033
where:
bonds (distance) C4'-P energy: -79.415
bonds (distance) P-C4' energy: -87.212
flat angles C4'-P-C4' energy: -98.205
flat angles P-C4'-P energy: -57.735
tors. eta vs tors. theta energy: -59.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -938.025800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.025800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.025800 (E_RNA)
where:
Base-Base interactions energy: -597.195
where: short stacking energy: -284.810
Base-Backbone interact. energy: 1.589
local terms energy: -342.420224
where:
bonds (distance) C4'-P energy: -72.000
bonds (distance) P-C4' energy: -90.578
flat angles C4'-P-C4' energy: -88.278
flat angles P-C4'-P energy: -43.349
tors. eta vs tors. theta energy: -48.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -800.517141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.517141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.517141 (E_RNA)
where:
Base-Base interactions energy: -483.433
where: short stacking energy: -240.483
Base-Backbone interact. energy: 2.809
local terms energy: -319.893862
where:
bonds (distance) C4'-P energy: -77.920
bonds (distance) P-C4' energy: -87.076
flat angles C4'-P-C4' energy: -80.784
flat angles P-C4'-P energy: -43.879
tors. eta vs tors. theta energy: -30.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -516.048999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.048999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.048999 (E_RNA)
where:
Base-Base interactions energy: -249.586
where: short stacking energy: -152.455
Base-Backbone interact. energy: 0.035
local terms energy: -266.497740
where:
bonds (distance) C4'-P energy: -80.369
bonds (distance) P-C4' energy: -64.766
flat angles C4'-P-C4' energy: -81.937
flat angles P-C4'-P energy: -45.213
tors. eta vs tors. theta energy: 5.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1810.728022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.728022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.728022 (E_RNA)
where:
Base-Base interactions energy: -1248.351
where: short stacking energy: -546.264
Base-Backbone interact. energy: -0.313
local terms energy: -562.063917
where:
bonds (distance) C4'-P energy: -94.489
bonds (distance) P-C4' energy: -98.767
flat angles C4'-P-C4' energy: -123.556
flat angles P-C4'-P energy: -75.019
tors. eta vs tors. theta energy: -170.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1733.053988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.053988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.053988 (E_RNA)
where:
Base-Base interactions energy: -1184.036
where: short stacking energy: -495.286
Base-Backbone interact. energy: -2.967
local terms energy: -546.051186
where:
bonds (distance) C4'-P energy: -102.061
bonds (distance) P-C4' energy: -104.708
flat angles C4'-P-C4' energy: -117.157
flat angles P-C4'-P energy: -81.939
tors. eta vs tors. theta energy: -140.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1529.162709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.162709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.162709 (E_RNA)
where:
Base-Base interactions energy: -1033.012
where: short stacking energy: -455.278
Base-Backbone interact. energy: -1.286
local terms energy: -494.864666
where:
bonds (distance) C4'-P energy: -101.077
bonds (distance) P-C4' energy: -91.034
flat angles C4'-P-C4' energy: -111.294
flat angles P-C4'-P energy: -72.236
tors. eta vs tors. theta energy: -119.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1487.297856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.297856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.297856 (E_RNA)
where:
Base-Base interactions energy: -989.978
where: short stacking energy: -410.125
Base-Backbone interact. energy: -0.476
local terms energy: -496.844459
where:
bonds (distance) C4'-P energy: -102.898
bonds (distance) P-C4' energy: -98.816
flat angles C4'-P-C4' energy: -107.949
flat angles P-C4'-P energy: -62.913
tors. eta vs tors. theta energy: -124.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1398.598625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.598625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.598625 (E_RNA)
where:
Base-Base interactions energy: -906.758
where: short stacking energy: -390.287
Base-Backbone interact. energy: -2.289
local terms energy: -489.551425
where:
bonds (distance) C4'-P energy: -94.157
bonds (distance) P-C4' energy: -89.373
flat angles C4'-P-C4' energy: -117.419
flat angles P-C4'-P energy: -70.374
tors. eta vs tors. theta energy: -118.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1170.029909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.029909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.029909 (E_RNA)
where:
Base-Base interactions energy: -773.443
where: short stacking energy: -342.409
Base-Backbone interact. energy: -2.573
local terms energy: -394.013555
where:
bonds (distance) C4'-P energy: -79.161
bonds (distance) P-C4' energy: -81.399
flat angles C4'-P-C4' energy: -99.560
flat angles P-C4'-P energy: -58.308
tors. eta vs tors. theta energy: -75.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1077.476102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.476102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.476102 (E_RNA)
where:
Base-Base interactions energy: -688.817
where: short stacking energy: -299.428
Base-Backbone interact. energy: 1.432
local terms energy: -390.091184
where:
bonds (distance) C4'-P energy: -81.714
bonds (distance) P-C4' energy: -93.469
flat angles C4'-P-C4' energy: -79.550
flat angles P-C4'-P energy: -53.867
tors. eta vs tors. theta energy: -81.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -930.378080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.378080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.378080 (E_RNA)
where:
Base-Base interactions energy: -548.468
where: short stacking energy: -250.589
Base-Backbone interact. energy: 1.527
local terms energy: -383.436915
where:
bonds (distance) C4'-P energy: -103.817
bonds (distance) P-C4' energy: -95.496
flat angles C4'-P-C4' energy: -81.768
flat angles P-C4'-P energy: -57.641
tors. eta vs tors. theta energy: -44.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -827.749037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.749037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.749037 (E_RNA)
where:
Base-Base interactions energy: -504.745
where: short stacking energy: -234.385
Base-Backbone interact. energy: 4.449
local terms energy: -327.453090
where:
bonds (distance) C4'-P energy: -95.591
bonds (distance) P-C4' energy: -77.715
flat angles C4'-P-C4' energy: -78.290
flat angles P-C4'-P energy: -52.022
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -603.923033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.923033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.923033 (E_RNA)
where:
Base-Base interactions energy: -358.471
where: short stacking energy: -174.526
Base-Backbone interact. energy: 0.832
local terms energy: -246.284161
where:
bonds (distance) C4'-P energy: -79.864
bonds (distance) P-C4' energy: -78.880
flat angles C4'-P-C4' energy: -52.846
flat angles P-C4'-P energy: -43.962
tors. eta vs tors. theta energy: 9.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1796.133075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.133075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.133075 (E_RNA)
where:
Base-Base interactions energy: -1220.613
where: short stacking energy: -519.725
Base-Backbone interact. energy: -3.572
local terms energy: -571.948173
where:
bonds (distance) C4'-P energy: -102.957
bonds (distance) P-C4' energy: -109.831
flat angles C4'-P-C4' energy: -118.651
flat angles P-C4'-P energy: -81.574
tors. eta vs tors. theta energy: -158.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1709.416543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.416543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.416543 (E_RNA)
where:
Base-Base interactions energy: -1192.861
where: short stacking energy: -491.630
Base-Backbone interact. energy: -2.585
local terms energy: -513.970398
where:
bonds (distance) C4'-P energy: -88.000
bonds (distance) P-C4' energy: -91.652
flat angles C4'-P-C4' energy: -112.353
flat angles P-C4'-P energy: -77.691
tors. eta vs tors. theta energy: -144.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1553.939722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.939722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.939722 (E_RNA)
where:
Base-Base interactions energy: -1052.535
where: short stacking energy: -449.793
Base-Backbone interact. energy: 1.737
local terms energy: -503.141950
where:
bonds (distance) C4'-P energy: -99.289
bonds (distance) P-C4' energy: -101.241
flat angles C4'-P-C4' energy: -97.220
flat angles P-C4'-P energy: -71.939
tors. eta vs tors. theta energy: -133.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1500.103784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.103784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.103784 (E_RNA)
where:
Base-Base interactions energy: -1000.491
where: short stacking energy: -424.825
Base-Backbone interact. energy: 0.212
local terms energy: -499.824697
where:
bonds (distance) C4'-P energy: -99.018
bonds (distance) P-C4' energy: -101.870
flat angles C4'-P-C4' energy: -105.326
flat angles P-C4'-P energy: -62.726
tors. eta vs tors. theta energy: -130.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1341.346252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.346252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.346252 (E_RNA)
where:
Base-Base interactions energy: -909.418
where: short stacking energy: -370.891
Base-Backbone interact. energy: 2.804
local terms energy: -434.732690
where:
bonds (distance) C4'-P energy: -93.375
bonds (distance) P-C4' energy: -85.833
flat angles C4'-P-C4' energy: -93.592
flat angles P-C4'-P energy: -59.357
tors. eta vs tors. theta energy: -102.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1198.595482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.595482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.595482 (E_RNA)
where:
Base-Base interactions energy: -756.137
where: short stacking energy: -345.433
Base-Backbone interact. energy: -2.901
local terms energy: -439.558364
where:
bonds (distance) C4'-P energy: -84.622
bonds (distance) P-C4' energy: -85.193
flat angles C4'-P-C4' energy: -104.773
flat angles P-C4'-P energy: -74.227
tors. eta vs tors. theta energy: -90.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1085.951634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.951634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.951634 (E_RNA)
where:
Base-Base interactions energy: -698.392
where: short stacking energy: -332.422
Base-Backbone interact. energy: -1.643
local terms energy: -385.916305
where:
bonds (distance) C4'-P energy: -65.042
bonds (distance) P-C4' energy: -99.849
flat angles C4'-P-C4' energy: -85.343
flat angles P-C4'-P energy: -68.150
tors. eta vs tors. theta energy: -67.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -977.038573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.038573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.038573 (E_RNA)
where:
Base-Base interactions energy: -600.299
where: short stacking energy: -303.889
Base-Backbone interact. energy: 4.706
local terms energy: -381.446348
where:
bonds (distance) C4'-P energy: -87.710
bonds (distance) P-C4' energy: -91.349
flat angles C4'-P-C4' energy: -88.060
flat angles P-C4'-P energy: -46.480
tors. eta vs tors. theta energy: -67.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -927.760187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.760187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.760187 (E_RNA)
where:
Base-Base interactions energy: -591.929
where: short stacking energy: -263.385
Base-Backbone interact. energy: -0.421
local terms energy: -335.410495
where:
bonds (distance) C4'-P energy: -83.543
bonds (distance) P-C4' energy: -80.760
flat angles C4'-P-C4' energy: -88.249
flat angles P-C4'-P energy: -38.167
tors. eta vs tors. theta energy: -44.691
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: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -635.595058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.595058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.595058 (E_RNA)
where:
Base-Base interactions energy: -344.634
where: short stacking energy: -159.453
Base-Backbone interact. energy: -0.640
local terms energy: -290.321043
where:
bonds (distance) C4'-P energy: -84.071
bonds (distance) P-C4' energy: -94.945
flat angles C4'-P-C4' energy: -73.978
flat angles P-C4'-P energy: -40.280
tors. eta vs tors. theta energy: 2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1790.554008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.554008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.554008 (E_RNA)
where:
Base-Base interactions energy: -1232.335
where: short stacking energy: -523.486
Base-Backbone interact. energy: -1.382
local terms energy: -556.836412
where:
bonds (distance) C4'-P energy: -101.339
bonds (distance) P-C4' energy: -101.462
flat angles C4'-P-C4' energy: -120.641
flat angles P-C4'-P energy: -80.079
tors. eta vs tors. theta energy: -153.316
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: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1738.388457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.388457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.388457 (E_RNA)
where:
Base-Base interactions energy: -1204.687
where: short stacking energy: -496.978
Base-Backbone interact. energy: -3.686
local terms energy: -530.015236
where:
bonds (distance) C4'-P energy: -108.243
bonds (distance) P-C4' energy: -99.784
flat angles C4'-P-C4' energy: -105.245
flat angles P-C4'-P energy: -68.229
tors. eta vs tors. theta energy: -148.515
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: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1560.575531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.575531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.575531 (E_RNA)
where:
Base-Base interactions energy: -1061.687
where: short stacking energy: -455.328
Base-Backbone interact. energy: -0.864
local terms energy: -498.024383
where:
bonds (distance) C4'-P energy: -91.957
bonds (distance) P-C4' energy: -100.705
flat angles C4'-P-C4' energy: -116.365
flat angles P-C4'-P energy: -59.074
tors. eta vs tors. theta energy: -129.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1484.884484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.884484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.884484 (E_RNA)
where:
Base-Base interactions energy: -970.101
where: short stacking energy: -416.653
Base-Backbone interact. energy: -1.140
local terms energy: -513.642635
where:
bonds (distance) C4'-P energy: -103.199
bonds (distance) P-C4' energy: -103.582
flat angles C4'-P-C4' energy: -107.720
flat angles P-C4'-P energy: -66.813
tors. eta vs tors. theta energy: -132.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1356.497739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.497739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.497739 (E_RNA)
where:
Base-Base interactions energy: -911.184
where: short stacking energy: -397.141
Base-Backbone interact. energy: 3.477
local terms energy: -448.790209
where:
bonds (distance) C4'-P energy: -78.536
bonds (distance) P-C4' energy: -100.863
flat angles C4'-P-C4' energy: -104.933
flat angles P-C4'-P energy: -56.743
tors. eta vs tors. theta energy: -107.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1130.826934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.826934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.826934 (E_RNA)
where:
Base-Base interactions energy: -703.053
where: short stacking energy: -312.744
Base-Backbone interact. energy: -3.598
local terms energy: -424.175888
where:
bonds (distance) C4'-P energy: -102.118
bonds (distance) P-C4' energy: -95.499
flat angles C4'-P-C4' energy: -91.579
flat angles P-C4'-P energy: -66.670
tors. eta vs tors. theta energy: -68.309
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: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1068.521967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.521967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.521967 (E_RNA)
where:
Base-Base interactions energy: -687.739
where: short stacking energy: -290.760
Base-Backbone interact. energy: -2.275
local terms energy: -378.508113
where:
bonds (distance) C4'-P energy: -81.574
bonds (distance) P-C4' energy: -98.661
flat angles C4'-P-C4' energy: -83.162
flat angles P-C4'-P energy: -55.920
tors. eta vs tors. theta energy: -59.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -937.222287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.222287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.222287 (E_RNA)
where:
Base-Base interactions energy: -574.493
where: short stacking energy: -280.079
Base-Backbone interact. energy: -2.755
local terms energy: -359.975045
where:
bonds (distance) C4'-P energy: -95.113
bonds (distance) P-C4' energy: -79.919
flat angles C4'-P-C4' energy: -88.175
flat angles P-C4'-P energy: -53.894
tors. eta vs tors. theta energy: -42.875
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: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -896.797749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.797749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.797749 (E_RNA)
where:
Base-Base interactions energy: -565.812
where: short stacking energy: -264.211
Base-Backbone interact. energy: 2.293
local terms energy: -333.277860
where:
bonds (distance) C4'-P energy: -80.564
bonds (distance) P-C4' energy: -69.349
flat angles C4'-P-C4' energy: -95.281
flat angles P-C4'-P energy: -46.943
tors. eta vs tors. theta energy: -41.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -654.254940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.254940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.254940 (E_RNA)
where:
Base-Base interactions energy: -352.117
where: short stacking energy: -202.351
Base-Backbone interact. energy: 6.207
local terms energy: -308.344043
where:
bonds (distance) C4'-P energy: -92.220
bonds (distance) P-C4' energy: -77.997
flat angles C4'-P-C4' energy: -72.759
flat angles P-C4'-P energy: -46.766
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1781.371879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.371879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.371879 (E_RNA)
where:
Base-Base interactions energy: -1235.505
where: short stacking energy: -520.470
Base-Backbone interact. energy: 0.085
local terms energy: -545.951209
where:
bonds (distance) C4'-P energy: -101.589
bonds (distance) P-C4' energy: -102.186
flat angles C4'-P-C4' energy: -112.415
flat angles P-C4'-P energy: -73.515
tors. eta vs tors. theta energy: -156.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1745.227697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.227697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.227697 (E_RNA)
where:
Base-Base interactions energy: -1218.715
where: short stacking energy: -486.097
Base-Backbone interact. energy: -1.933
local terms energy: -524.579155
where:
bonds (distance) C4'-P energy: -95.102
bonds (distance) P-C4' energy: -96.782
flat angles C4'-P-C4' energy: -110.821
flat angles P-C4'-P energy: -74.543
tors. eta vs tors. theta energy: -147.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1546.818268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.818268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.818268 (E_RNA)
where:
Base-Base interactions energy: -1033.523
where: short stacking energy: -444.428
Base-Backbone interact. energy: -3.501
local terms energy: -509.793796
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -102.025
flat angles C4'-P-C4' energy: -109.966
flat angles P-C4'-P energy: -70.224
tors. eta vs tors. theta energy: -129.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1483.271040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.271040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.271040 (E_RNA)
where:
Base-Base interactions energy: -997.890
where: short stacking energy: -443.261
Base-Backbone interact. energy: -1.161
local terms energy: -484.220310
where:
bonds (distance) C4'-P energy: -94.317
bonds (distance) P-C4' energy: -84.907
flat angles C4'-P-C4' energy: -110.830
flat angles P-C4'-P energy: -75.575
tors. eta vs tors. theta energy: -118.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1366.717858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.717858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.717858 (E_RNA)
where:
Base-Base interactions energy: -874.239
where: short stacking energy: -398.713
Base-Backbone interact. energy: -2.818
local terms energy: -489.660340
where:
bonds (distance) C4'-P energy: -100.678
bonds (distance) P-C4' energy: -87.528
flat angles C4'-P-C4' energy: -107.172
flat angles P-C4'-P energy: -77.805
tors. eta vs tors. theta energy: -116.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1170.226629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.226629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.226629 (E_RNA)
where:
Base-Base interactions energy: -734.614
where: short stacking energy: -326.353
Base-Backbone interact. energy: -1.649
local terms energy: -433.962873
where:
bonds (distance) C4'-P energy: -92.497
bonds (distance) P-C4' energy: -103.210
flat angles C4'-P-C4' energy: -101.331
flat angles P-C4'-P energy: -50.114
tors. eta vs tors. theta energy: -86.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1129.506885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.506885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.506885 (E_RNA)
where:
Base-Base interactions energy: -739.263
where: short stacking energy: -311.889
Base-Backbone interact. energy: -3.396
local terms energy: -386.847760
where:
bonds (distance) C4'-P energy: -83.498
bonds (distance) P-C4' energy: -85.246
flat angles C4'-P-C4' energy: -89.641
flat angles P-C4'-P energy: -57.460
tors. eta vs tors. theta energy: -71.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -898.996169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.996169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.996169 (E_RNA)
where:
Base-Base interactions energy: -550.131
where: short stacking energy: -243.105
Base-Backbone interact. energy: 0.513
local terms energy: -349.378072
where:
bonds (distance) C4'-P energy: -75.179
bonds (distance) P-C4' energy: -95.344
flat angles C4'-P-C4' energy: -89.818
flat angles P-C4'-P energy: -49.073
tors. eta vs tors. theta energy: -39.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -862.273103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.273103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.273103 (E_RNA)
where:
Base-Base interactions energy: -515.224
where: short stacking energy: -232.576
Base-Backbone interact. energy: 2.721
local terms energy: -349.769634
where:
bonds (distance) C4'-P energy: -76.859
bonds (distance) P-C4' energy: -86.393
flat angles C4'-P-C4' energy: -89.549
flat angles P-C4'-P energy: -58.535
tors. eta vs tors. theta energy: -38.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -602.032873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.032873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.032873 (E_RNA)
where:
Base-Base interactions energy: -339.697
where: short stacking energy: -154.251
Base-Backbone interact. energy: 3.329
local terms energy: -265.664237
where:
bonds (distance) C4'-P energy: -84.278
bonds (distance) P-C4' energy: -75.840
flat angles C4'-P-C4' energy: -81.549
flat angles P-C4'-P energy: -39.627
tors. eta vs tors. theta energy: 15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1772.773142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.773142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.773142 (E_RNA)
where:
Base-Base interactions energy: -1237.091
where: short stacking energy: -493.531
Base-Backbone interact. energy: -2.331
local terms energy: -533.351787
where:
bonds (distance) C4'-P energy: -99.585
bonds (distance) P-C4' energy: -93.805
flat angles C4'-P-C4' energy: -112.199
flat angles P-C4'-P energy: -78.341
tors. eta vs tors. theta energy: -149.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1755.835519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.835519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.835519 (E_RNA)
where:
Base-Base interactions energy: -1215.532
where: short stacking energy: -525.079
Base-Backbone interact. energy: -3.553
local terms energy: -536.751005
where:
bonds (distance) C4'-P energy: -88.580
bonds (distance) P-C4' energy: -105.464
flat angles C4'-P-C4' energy: -107.716
flat angles P-C4'-P energy: -77.790
tors. eta vs tors. theta energy: -157.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1540.861401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.861401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.861401 (E_RNA)
where:
Base-Base interactions energy: -1037.109
where: short stacking energy: -471.290
Base-Backbone interact. energy: -2.357
local terms energy: -501.395180
where:
bonds (distance) C4'-P energy: -97.168
bonds (distance) P-C4' energy: -81.885
flat angles C4'-P-C4' energy: -110.639
flat angles P-C4'-P energy: -74.026
tors. eta vs tors. theta energy: -137.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1482.714498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.714498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.714498 (E_RNA)
where:
Base-Base interactions energy: -1011.817
where: short stacking energy: -447.833
Base-Backbone interact. energy: -1.184
local terms energy: -469.713436
where:
bonds (distance) C4'-P energy: -83.163
bonds (distance) P-C4' energy: -89.396
flat angles C4'-P-C4' energy: -105.994
flat angles P-C4'-P energy: -60.028
tors. eta vs tors. theta energy: -131.132
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: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1365.392688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.392688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.392688 (E_RNA)
where:
Base-Base interactions energy: -909.833
where: short stacking energy: -400.101
Base-Backbone interact. energy: -1.600
local terms energy: -453.958957
where:
bonds (distance) C4'-P energy: -95.237
bonds (distance) P-C4' energy: -86.555
flat angles C4'-P-C4' energy: -103.986
flat angles P-C4'-P energy: -55.768
tors. eta vs tors. theta energy: -112.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1210.272321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.272321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.272321 (E_RNA)
where:
Base-Base interactions energy: -788.055
where: short stacking energy: -352.761
Base-Backbone interact. energy: -0.454
local terms energy: -421.762820
where:
bonds (distance) C4'-P energy: -84.648
bonds (distance) P-C4' energy: -94.833
flat angles C4'-P-C4' energy: -92.409
flat angles P-C4'-P energy: -63.563
tors. eta vs tors. theta energy: -86.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1118.308632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.308632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.308632 (E_RNA)
where:
Base-Base interactions energy: -754.202
where: short stacking energy: -325.823
Base-Backbone interact. energy: -4.643
local terms energy: -359.462766
where:
bonds (distance) C4'-P energy: -80.696
bonds (distance) P-C4' energy: -81.455
flat angles C4'-P-C4' energy: -87.001
flat angles P-C4'-P energy: -52.165
tors. eta vs tors. theta energy: -58.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -951.818422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.818422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.818422 (E_RNA)
where:
Base-Base interactions energy: -578.018
where: short stacking energy: -257.452
Base-Backbone interact. energy: -2.954
local terms energy: -370.846060
where:
bonds (distance) C4'-P energy: -76.540
bonds (distance) P-C4' energy: -113.678
flat angles C4'-P-C4' energy: -84.290
flat angles P-C4'-P energy: -48.512
tors. eta vs tors. theta energy: -47.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -806.155611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.155611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.155611 (E_RNA)
where:
Base-Base interactions energy: -474.025
where: short stacking energy: -217.779
Base-Backbone interact. energy: -1.765
local terms energy: -330.365754
where:
bonds (distance) C4'-P energy: -78.114
bonds (distance) P-C4' energy: -83.435
flat angles C4'-P-C4' energy: -81.944
flat angles P-C4'-P energy: -57.141
tors. eta vs tors. theta energy: -29.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -580.733584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.733584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.733584 (E_RNA)
where:
Base-Base interactions energy: -283.672
where: short stacking energy: -152.252
Base-Backbone interact. energy: 0.167
local terms energy: -297.228446
where:
bonds (distance) C4'-P energy: -81.703
bonds (distance) P-C4' energy: -91.493
flat angles C4'-P-C4' energy: -73.873
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -2.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1754.987889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.987889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.987889 (E_RNA)
where:
Base-Base interactions energy: -1219.094
where: short stacking energy: -490.996
Base-Backbone interact. energy: 2.899
local terms energy: -538.792666
where:
bonds (distance) C4'-P energy: -109.989
bonds (distance) P-C4' energy: -105.737
flat angles C4'-P-C4' energy: -115.295
flat angles P-C4'-P energy: -66.888
tors. eta vs tors. theta energy: -140.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1754.374301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.374301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.374301 (E_RNA)
where:
Base-Base interactions energy: -1217.173
where: short stacking energy: -528.177
Base-Backbone interact. energy: -1.981
local terms energy: -535.220323
where:
bonds (distance) C4'-P energy: -100.799
bonds (distance) P-C4' energy: -94.488
flat angles C4'-P-C4' energy: -108.861
flat angles P-C4'-P energy: -70.864
tors. eta vs tors. theta energy: -160.207
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: 357
Temperature: 1.000000
Total energy: -1557.151757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.151757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.151757 (E_RNA)
where:
Base-Base interactions energy: -1066.843
where: short stacking energy: -479.020
Base-Backbone interact. energy: -0.270
local terms energy: -490.038455
where:
bonds (distance) C4'-P energy: -90.836
bonds (distance) P-C4' energy: -103.777
flat angles C4'-P-C4' energy: -101.505
flat angles P-C4'-P energy: -59.856
tors. eta vs tors. theta energy: -134.064
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: 357
Temperature: 1.050000
Total energy: -1465.302856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.302856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.302856 (E_RNA)
where:
Base-Base interactions energy: -992.241
where: short stacking energy: -436.306
Base-Backbone interact. energy: -0.455
local terms energy: -472.607486
where:
bonds (distance) C4'-P energy: -102.362
bonds (distance) P-C4' energy: -72.497
flat angles C4'-P-C4' energy: -103.017
flat angles P-C4'-P energy: -71.856
tors. eta vs tors. theta energy: -122.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1411.065168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.065168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.065168 (E_RNA)
where:
Base-Base interactions energy: -942.313
where: short stacking energy: -416.851
Base-Backbone interact. energy: -1.982
local terms energy: -466.769649
where:
bonds (distance) C4'-P energy: -88.167
bonds (distance) P-C4' energy: -95.562
flat angles C4'-P-C4' energy: -101.797
flat angles P-C4'-P energy: -62.915
tors. eta vs tors. theta energy: -118.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1161.339874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.339874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.339874 (E_RNA)
where:
Base-Base interactions energy: -742.268
where: short stacking energy: -342.040
Base-Backbone interact. energy: -1.335
local terms energy: -417.737523
where:
bonds (distance) C4'-P energy: -94.582
bonds (distance) P-C4' energy: -77.522
flat angles C4'-P-C4' energy: -109.161
flat angles P-C4'-P energy: -48.789
tors. eta vs tors. theta energy: -87.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1146.025238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.025238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.025238 (E_RNA)
where:
Base-Base interactions energy: -752.513
where: short stacking energy: -327.841
Base-Backbone interact. energy: -1.792
local terms energy: -391.720277
where:
bonds (distance) C4'-P energy: -71.678
bonds (distance) P-C4' energy: -91.140
flat angles C4'-P-C4' energy: -96.618
flat angles P-C4'-P energy: -55.971
tors. eta vs tors. theta energy: -76.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -986.116923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.116923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.116923 (E_RNA)
where:
Base-Base interactions energy: -617.547
where: short stacking energy: -296.645
Base-Backbone interact. energy: -0.563
local terms energy: -368.007701
where:
bonds (distance) C4'-P energy: -89.547
bonds (distance) P-C4' energy: -85.477
flat angles C4'-P-C4' energy: -73.113
flat angles P-C4'-P energy: -56.091
tors. eta vs tors. theta energy: -63.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -807.135956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.135956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.135956 (E_RNA)
where:
Base-Base interactions energy: -486.797
where: short stacking energy: -213.636
Base-Backbone interact. energy: 1.192
local terms energy: -321.531252
where:
bonds (distance) C4'-P energy: -84.869
bonds (distance) P-C4' energy: -92.710
flat angles C4'-P-C4' energy: -77.036
flat angles P-C4'-P energy: -47.887
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -594.496801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.496801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.496801 (E_RNA)
where:
Base-Base interactions energy: -325.032
where: short stacking energy: -159.014
Base-Backbone interact. energy: 5.207
local terms energy: -274.671854
where:
bonds (distance) C4'-P energy: -76.809
bonds (distance) P-C4' energy: -93.813
flat angles C4'-P-C4' energy: -73.584
flat angles P-C4'-P energy: -35.586
tors. eta vs tors. theta energy: 5.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1787.843047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.843047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.843047 (E_RNA)
where:
Base-Base interactions energy: -1217.845
where: short stacking energy: -549.987
Base-Backbone interact. energy: -1.353
local terms energy: -568.645619
where:
bonds (distance) C4'-P energy: -106.148
bonds (distance) P-C4' energy: -102.039
flat angles C4'-P-C4' energy: -111.909
flat angles P-C4'-P energy: -89.178
tors. eta vs tors. theta energy: -159.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1700.480747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.480747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.480747 (E_RNA)
where:
Base-Base interactions energy: -1173.858
where: short stacking energy: -487.611
Base-Backbone interact. energy: -0.236
local terms energy: -526.387310
where:
bonds (distance) C4'-P energy: -100.517
bonds (distance) P-C4' energy: -102.530
flat angles C4'-P-C4' energy: -114.302
flat angles P-C4'-P energy: -77.174
tors. eta vs tors. theta energy: -131.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1567.640305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.640305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.640305 (E_RNA)
where:
Base-Base interactions energy: -1052.653
where: short stacking energy: -459.175
Base-Backbone interact. energy: -0.089
local terms energy: -514.898315
where:
bonds (distance) C4'-P energy: -98.221
bonds (distance) P-C4' energy: -98.885
flat angles C4'-P-C4' energy: -116.660
flat angles P-C4'-P energy: -70.940
tors. eta vs tors. theta energy: -130.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1466.389482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.389482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.389482 (E_RNA)
where:
Base-Base interactions energy: -989.245
where: short stacking energy: -441.005
Base-Backbone interact. energy: 5.003
local terms energy: -482.147816
where:
bonds (distance) C4'-P energy: -83.639
bonds (distance) P-C4' energy: -95.376
flat angles C4'-P-C4' energy: -111.041
flat angles P-C4'-P energy: -69.447
tors. eta vs tors. theta energy: -122.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1429.126536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.126536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.126536 (E_RNA)
where:
Base-Base interactions energy: -942.859
where: short stacking energy: -410.860
Base-Backbone interact. energy: -2.934
local terms energy: -483.333268
where:
bonds (distance) C4'-P energy: -95.461
bonds (distance) P-C4' energy: -91.594
flat angles C4'-P-C4' energy: -112.591
flat angles P-C4'-P energy: -60.489
tors. eta vs tors. theta energy: -123.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1149.377947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.377947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.377947 (E_RNA)
where:
Base-Base interactions energy: -734.902
where: short stacking energy: -345.088
Base-Backbone interact. energy: -3.025
local terms energy: -411.451375
where:
bonds (distance) C4'-P energy: -83.915
bonds (distance) P-C4' energy: -86.295
flat angles C4'-P-C4' energy: -101.274
flat angles P-C4'-P energy: -58.640
tors. eta vs tors. theta energy: -81.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1025.835086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.835086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.835086 (E_RNA)
where:
Base-Base interactions energy: -645.054
where: short stacking energy: -298.057
Base-Backbone interact. energy: 3.891
local terms energy: -384.672119
where:
bonds (distance) C4'-P energy: -87.228
bonds (distance) P-C4' energy: -87.986
flat angles C4'-P-C4' energy: -88.502
flat angles P-C4'-P energy: -48.896
tors. eta vs tors. theta energy: -72.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1090.610251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.610251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.610251 (E_RNA)
where:
Base-Base interactions energy: -681.489
where: short stacking energy: -311.637
Base-Backbone interact. energy: 0.404
local terms energy: -409.525057
where:
bonds (distance) C4'-P energy: -77.519
bonds (distance) P-C4' energy: -102.481
flat angles C4'-P-C4' energy: -89.999
flat angles P-C4'-P energy: -58.216
tors. eta vs tors. theta energy: -81.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -889.899424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.899424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.899424 (E_RNA)
where:
Base-Base interactions energy: -553.411
where: short stacking energy: -250.659
Base-Backbone interact. energy: -0.324
local terms energy: -336.164284
where:
bonds (distance) C4'-P energy: -86.810
bonds (distance) P-C4' energy: -87.377
flat angles C4'-P-C4' energy: -92.481
flat angles P-C4'-P energy: -31.504
tors. eta vs tors. theta energy: -37.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -606.908463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.908463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.908463 (E_RNA)
where:
Base-Base interactions energy: -311.199
where: short stacking energy: -168.879
Base-Backbone interact. energy: -2.809
local terms energy: -292.901151
where:
bonds (distance) C4'-P energy: -98.597
bonds (distance) P-C4' energy: -86.458
flat angles C4'-P-C4' energy: -74.311
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: 13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1785.995307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.995307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.995307 (E_RNA)
where:
Base-Base interactions energy: -1209.534
where: short stacking energy: -519.187
Base-Backbone interact. energy: -0.977
local terms energy: -575.484298
where:
bonds (distance) C4'-P energy: -104.653
bonds (distance) P-C4' energy: -111.919
flat angles C4'-P-C4' energy: -117.760
flat angles P-C4'-P energy: -79.679
tors. eta vs tors. theta energy: -161.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1713.896686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.896686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.896686 (E_RNA)
where:
Base-Base interactions energy: -1198.060
where: short stacking energy: -482.150
Base-Backbone interact. energy: -2.681
local terms energy: -513.155796
where:
bonds (distance) C4'-P energy: -104.272
bonds (distance) P-C4' energy: -94.236
flat angles C4'-P-C4' energy: -115.118
flat angles P-C4'-P energy: -66.258
tors. eta vs tors. theta energy: -133.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1582.519007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.519007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.519007 (E_RNA)
where:
Base-Base interactions energy: -1088.270
where: short stacking energy: -486.884
Base-Backbone interact. energy: -1.365
local terms energy: -492.884070
where:
bonds (distance) C4'-P energy: -92.067
bonds (distance) P-C4' energy: -95.669
flat angles C4'-P-C4' energy: -101.066
flat angles P-C4'-P energy: -65.461
tors. eta vs tors. theta energy: -138.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1502.250768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.250768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.250768 (E_RNA)
where:
Base-Base interactions energy: -975.319
where: short stacking energy: -422.743
Base-Backbone interact. energy: -2.507
local terms energy: -524.425053
where:
bonds (distance) C4'-P energy: -103.605
bonds (distance) P-C4' energy: -97.028
flat angles C4'-P-C4' energy: -110.052
flat angles P-C4'-P energy: -75.665
tors. eta vs tors. theta energy: -138.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1401.240498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.240498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.240498 (E_RNA)
where:
Base-Base interactions energy: -892.713
where: short stacking energy: -399.332
Base-Backbone interact. energy: -0.724
local terms energy: -507.803591
where:
bonds (distance) C4'-P energy: -99.895
bonds (distance) P-C4' energy: -109.099
flat angles C4'-P-C4' energy: -112.079
flat angles P-C4'-P energy: -77.033
tors. eta vs tors. theta energy: -109.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1101.397581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.397581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.397581 (E_RNA)
where:
Base-Base interactions energy: -704.848
where: short stacking energy: -323.939
Base-Backbone interact. energy: 0.645
local terms energy: -397.195268
where:
bonds (distance) C4'-P energy: -64.947
bonds (distance) P-C4' energy: -87.973
flat angles C4'-P-C4' energy: -101.523
flat angles P-C4'-P energy: -83.094
tors. eta vs tors. theta energy: -59.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1127.097691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.097691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.097691 (E_RNA)
where:
Base-Base interactions energy: -740.318
where: short stacking energy: -346.506
Base-Backbone interact. energy: 1.716
local terms energy: -388.495242
where:
bonds (distance) C4'-P energy: -84.497
bonds (distance) P-C4' energy: -78.416
flat angles C4'-P-C4' energy: -89.320
flat angles P-C4'-P energy: -56.032
tors. eta vs tors. theta energy: -80.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1047.726761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.726761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.726761 (E_RNA)
where:
Base-Base interactions energy: -662.605
where: short stacking energy: -289.836
Base-Backbone interact. energy: -1.597
local terms energy: -383.524625
where:
bonds (distance) C4'-P energy: -88.460
bonds (distance) P-C4' energy: -101.747
flat angles C4'-P-C4' energy: -88.637
flat angles P-C4'-P energy: -45.700
tors. eta vs tors. theta energy: -58.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -847.589876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.589876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.589876 (E_RNA)
where:
Base-Base interactions energy: -523.829
where: short stacking energy: -246.055
Base-Backbone interact. energy: -0.289
local terms energy: -323.471217
where:
bonds (distance) C4'-P energy: -84.591
bonds (distance) P-C4' energy: -72.032
flat angles C4'-P-C4' energy: -86.599
flat angles P-C4'-P energy: -48.515
tors. eta vs tors. theta energy: -31.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -622.171363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.171363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.171363 (E_RNA)
where:
Base-Base interactions energy: -346.905
where: short stacking energy: -175.364
Base-Backbone interact. energy: 2.302
local terms energy: -277.568528
where:
bonds (distance) C4'-P energy: -74.212
bonds (distance) P-C4' energy: -93.045
flat angles C4'-P-C4' energy: -64.801
flat angles P-C4'-P energy: -35.139
tors. eta vs tors. theta energy: -10.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1762.672246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.672246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.672246 (E_RNA)
where:
Base-Base interactions energy: -1219.976
where: short stacking energy: -523.683
Base-Backbone interact. energy: -0.539
local terms energy: -542.157089
where:
bonds (distance) C4'-P energy: -92.769
bonds (distance) P-C4' energy: -101.539
flat angles C4'-P-C4' energy: -112.584
flat angles P-C4'-P energy: -84.970
tors. eta vs tors. theta energy: -150.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1705.364425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.364425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.364425 (E_RNA)
where:
Base-Base interactions energy: -1175.440
where: short stacking energy: -484.669
Base-Backbone interact. energy: -1.811
local terms energy: -528.113570
where:
bonds (distance) C4'-P energy: -98.917
bonds (distance) P-C4' energy: -87.971
flat angles C4'-P-C4' energy: -115.330
flat angles P-C4'-P energy: -73.118
tors. eta vs tors. theta energy: -152.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1568.032579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.032579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.032579 (E_RNA)
where:
Base-Base interactions energy: -1046.603
where: short stacking energy: -456.830
Base-Backbone interact. energy: -0.770
local terms energy: -520.659470
where:
bonds (distance) C4'-P energy: -93.573
bonds (distance) P-C4' energy: -107.737
flat angles C4'-P-C4' energy: -117.702
flat angles P-C4'-P energy: -71.127
tors. eta vs tors. theta energy: -130.522
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: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1511.356290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.356290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.356290 (E_RNA)
where:
Base-Base interactions energy: -1014.824
where: short stacking energy: -453.782
Base-Backbone interact. energy: 1.182
local terms energy: -497.714223
where:
bonds (distance) C4'-P energy: -98.014
bonds (distance) P-C4' energy: -103.958
flat angles C4'-P-C4' energy: -96.830
flat angles P-C4'-P energy: -66.515
tors. eta vs tors. theta energy: -132.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1398.289363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.289363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.289363 (E_RNA)
where:
Base-Base interactions energy: -919.656
where: short stacking energy: -414.263
Base-Backbone interact. energy: -1.575
local terms energy: -477.058533
where:
bonds (distance) C4'-P energy: -96.671
bonds (distance) P-C4' energy: -106.968
flat angles C4'-P-C4' energy: -93.356
flat angles P-C4'-P energy: -69.812
tors. eta vs tors. theta energy: -110.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1194.589832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.589832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.589832 (E_RNA)
where:
Base-Base interactions energy: -762.711
where: short stacking energy: -376.588
Base-Backbone interact. energy: -2.134
local terms energy: -429.744111
where:
bonds (distance) C4'-P energy: -78.703
bonds (distance) P-C4' energy: -96.112
flat angles C4'-P-C4' energy: -95.114
flat angles P-C4'-P energy: -65.129
tors. eta vs tors. theta energy: -94.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1132.355710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.355710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.355710 (E_RNA)
where:
Base-Base interactions energy: -713.334
where: short stacking energy: -318.019
Base-Backbone interact. energy: -2.322
local terms energy: -416.699648
where:
bonds (distance) C4'-P energy: -87.157
bonds (distance) P-C4' energy: -88.099
flat angles C4'-P-C4' energy: -100.546
flat angles P-C4'-P energy: -64.004
tors. eta vs tors. theta energy: -76.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1030.082079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.082079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.082079 (E_RNA)
where:
Base-Base interactions energy: -659.497
where: short stacking energy: -303.725
Base-Backbone interact. energy: 1.232
local terms energy: -371.816587
where:
bonds (distance) C4'-P energy: -93.988
bonds (distance) P-C4' energy: -83.194
flat angles C4'-P-C4' energy: -77.463
flat angles P-C4'-P energy: -47.806
tors. eta vs tors. theta energy: -69.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -854.422391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.422391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.422391 (E_RNA)
where:
Base-Base interactions energy: -533.075
where: short stacking energy: -266.557
Base-Backbone interact. energy: -1.495
local terms energy: -319.852801
where:
bonds (distance) C4'-P energy: -70.069
bonds (distance) P-C4' energy: -79.925
flat angles C4'-P-C4' energy: -83.072
flat angles P-C4'-P energy: -49.132
tors. eta vs tors. theta energy: -37.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -642.629401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.629401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.629401 (E_RNA)
where:
Base-Base interactions energy: -332.097
where: short stacking energy: -171.610
Base-Backbone interact. energy: 4.791
local terms energy: -315.323850
where:
bonds (distance) C4'-P energy: -89.416
bonds (distance) P-C4' energy: -91.340
flat angles C4'-P-C4' energy: -65.040
flat angles P-C4'-P energy: -54.538
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1786.589431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.589431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.589431 (E_RNA)
where:
Base-Base interactions energy: -1222.132
where: short stacking energy: -531.779
Base-Backbone interact. energy: -1.043
local terms energy: -563.414604
where:
bonds (distance) C4'-P energy: -93.313
bonds (distance) P-C4' energy: -104.822
flat angles C4'-P-C4' energy: -116.891
flat angles P-C4'-P energy: -81.199
tors. eta vs tors. theta energy: -167.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1696.303715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.303715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.303715 (E_RNA)
where:
Base-Base interactions energy: -1157.647
where: short stacking energy: -466.885
Base-Backbone interact. energy: -1.745
local terms energy: -536.912607
where:
bonds (distance) C4'-P energy: -96.807
bonds (distance) P-C4' energy: -112.114
flat angles C4'-P-C4' energy: -115.237
flat angles P-C4'-P energy: -79.803
tors. eta vs tors. theta energy: -132.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1563.404356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.404356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.404356 (E_RNA)
where:
Base-Base interactions energy: -1050.609
where: short stacking energy: -458.775
Base-Backbone interact. energy: 0.450
local terms energy: -513.244993
where:
bonds (distance) C4'-P energy: -98.763
bonds (distance) P-C4' energy: -108.980
flat angles C4'-P-C4' energy: -101.479
flat angles P-C4'-P energy: -64.485
tors. eta vs tors. theta energy: -139.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1504.388247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.388247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.388247 (E_RNA)
where:
Base-Base interactions energy: -1015.199
where: short stacking energy: -432.118
Base-Backbone interact. energy: -0.234
local terms energy: -488.954960
where:
bonds (distance) C4'-P energy: -99.565
bonds (distance) P-C4' energy: -96.177
flat angles C4'-P-C4' energy: -110.011
flat angles P-C4'-P energy: -64.729
tors. eta vs tors. theta energy: -118.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1379.677502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.677502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.677502 (E_RNA)
where:
Base-Base interactions energy: -893.221
where: short stacking energy: -399.368
Base-Backbone interact. energy: -2.221
local terms energy: -484.235447
where:
bonds (distance) C4'-P energy: -104.145
bonds (distance) P-C4' energy: -103.408
flat angles C4'-P-C4' energy: -102.616
flat angles P-C4'-P energy: -60.925
tors. eta vs tors. theta energy: -113.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1205.285512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.285512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.285512 (E_RNA)
where:
Base-Base interactions energy: -781.683
where: short stacking energy: -360.421
Base-Backbone interact. energy: -2.620
local terms energy: -420.982938
where:
bonds (distance) C4'-P energy: -82.150
bonds (distance) P-C4' energy: -88.176
flat angles C4'-P-C4' energy: -98.210
flat angles P-C4'-P energy: -59.440
tors. eta vs tors. theta energy: -93.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1079.777896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.777896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.777896 (E_RNA)
where:
Base-Base interactions energy: -700.540
where: short stacking energy: -298.516
Base-Backbone interact. energy: -2.406
local terms energy: -376.832550
where:
bonds (distance) C4'-P energy: -94.386
bonds (distance) P-C4' energy: -86.258
flat angles C4'-P-C4' energy: -80.246
flat angles P-C4'-P energy: -62.037
tors. eta vs tors. theta energy: -53.906
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: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1024.362927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.362927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.362927 (E_RNA)
where:
Base-Base interactions energy: -649.405
where: short stacking energy: -292.381
Base-Backbone interact. energy: -0.041
local terms energy: -374.917268
where:
bonds (distance) C4'-P energy: -85.822
bonds (distance) P-C4' energy: -93.016
flat angles C4'-P-C4' energy: -73.714
flat angles P-C4'-P energy: -55.489
tors. eta vs tors. theta energy: -66.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -869.137908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.137908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.137908 (E_RNA)
where:
Base-Base interactions energy: -540.181
where: short stacking energy: -229.720
Base-Backbone interact. energy: 4.778
local terms energy: -333.735654
where:
bonds (distance) C4'-P energy: -79.291
bonds (distance) P-C4' energy: -77.632
flat angles C4'-P-C4' energy: -73.557
flat angles P-C4'-P energy: -71.300
tors. eta vs tors. theta energy: -31.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -614.728781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.728781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.728781 (E_RNA)
where:
Base-Base interactions energy: -316.651
where: short stacking energy: -163.041
Base-Backbone interact. energy: 1.065
local terms energy: -300.648812
where:
bonds (distance) C4'-P energy: -81.907
bonds (distance) P-C4' energy: -92.509
flat angles C4'-P-C4' energy: -86.191
flat angles P-C4'-P energy: -35.631
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.506 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1779.311752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.311752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.311752 (E_RNA)
where:
Base-Base interactions energy: -1220.996
where: short stacking energy: -519.588
Base-Backbone interact. energy: -1.746
local terms energy: -556.570319
where:
bonds (distance) C4'-P energy: -105.913
bonds (distance) P-C4' energy: -102.425
flat angles C4'-P-C4' energy: -119.009
flat angles P-C4'-P energy: -78.204
tors. eta vs tors. theta energy: -151.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1688.715393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.715393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.715393 (E_RNA)
where:
Base-Base interactions energy: -1176.108
where: short stacking energy: -480.445
Base-Backbone interact. energy: -1.225
local terms energy: -511.381761
where:
bonds (distance) C4'-P energy: -87.510
bonds (distance) P-C4' energy: -106.968
flat angles C4'-P-C4' energy: -105.355
flat angles P-C4'-P energy: -75.159
tors. eta vs tors. theta energy: -136.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1567.461795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.461795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.461795 (E_RNA)
where:
Base-Base interactions energy: -1056.052
where: short stacking energy: -460.852
Base-Backbone interact. energy: 1.410
local terms energy: -512.819920
where:
bonds (distance) C4'-P energy: -95.605
bonds (distance) P-C4' energy: -94.744
flat angles C4'-P-C4' energy: -108.846
flat angles P-C4'-P energy: -77.640
tors. eta vs tors. theta energy: -135.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1518.490004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.490004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.490004 (E_RNA)
where:
Base-Base interactions energy: -1023.426
where: short stacking energy: -443.883
Base-Backbone interact. energy: 1.474
local terms energy: -496.537749
where:
bonds (distance) C4'-P energy: -74.970
bonds (distance) P-C4' energy: -101.223
flat angles C4'-P-C4' energy: -103.231
flat angles P-C4'-P energy: -80.468
tors. eta vs tors. theta energy: -136.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1297.203348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.203348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.203348 (E_RNA)
where:
Base-Base interactions energy: -864.462
where: short stacking energy: -382.861
Base-Backbone interact. energy: 0.848
local terms energy: -433.589735
where:
bonds (distance) C4'-P energy: -89.709
bonds (distance) P-C4' energy: -89.218
flat angles C4'-P-C4' energy: -93.467
flat angles P-C4'-P energy: -65.645
tors. eta vs tors. theta energy: -95.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1213.365668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.365668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.365668 (E_RNA)
where:
Base-Base interactions energy: -772.564
where: short stacking energy: -362.843
Base-Backbone interact. energy: -1.452
local terms energy: -439.350383
where:
bonds (distance) C4'-P energy: -78.871
bonds (distance) P-C4' energy: -83.979
flat angles C4'-P-C4' energy: -107.857
flat angles P-C4'-P energy: -69.149
tors. eta vs tors. theta energy: -99.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1065.011393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.011393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.011393 (E_RNA)
where:
Base-Base interactions energy: -687.188
where: short stacking energy: -293.148
Base-Backbone interact. energy: 0.478
local terms energy: -378.301378
where:
bonds (distance) C4'-P energy: -87.773
bonds (distance) P-C4' energy: -93.572
flat angles C4'-P-C4' energy: -77.000
flat angles P-C4'-P energy: -63.738
tors. eta vs tors. theta energy: -56.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -977.878661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.878661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.878661 (E_RNA)
where:
Base-Base interactions energy: -609.928
where: short stacking energy: -285.685
Base-Backbone interact. energy: 4.432
local terms energy: -372.382767
where:
bonds (distance) C4'-P energy: -79.332
bonds (distance) P-C4' energy: -96.071
flat angles C4'-P-C4' energy: -87.878
flat angles P-C4'-P energy: -44.890
tors. eta vs tors. theta energy: -64.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -883.862308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.862308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.862308 (E_RNA)
where:
Base-Base interactions energy: -549.618
where: short stacking energy: -267.862
Base-Backbone interact. energy: 0.871
local terms energy: -335.115091
where:
bonds (distance) C4'-P energy: -67.759
bonds (distance) P-C4' energy: -86.221
flat angles C4'-P-C4' energy: -77.841
flat angles P-C4'-P energy: -50.577
tors. eta vs tors. theta energy: -52.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -610.024084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.024084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.024084 (E_RNA)
where:
Base-Base interactions energy: -322.292
where: short stacking energy: -166.192
Base-Backbone interact. energy: -0.523
local terms energy: -287.209176
where:
bonds (distance) C4'-P energy: -73.501
bonds (distance) P-C4' energy: -92.222
flat angles C4'-P-C4' energy: -73.450
flat angles P-C4'-P energy: -42.585
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1786.502217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.502217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.502217 (E_RNA)
where:
Base-Base interactions energy: -1231.114
where: short stacking energy: -511.444
Base-Backbone interact. energy: -2.156
local terms energy: -553.232644
where:
bonds (distance) C4'-P energy: -93.160
bonds (distance) P-C4' energy: -104.787
flat angles C4'-P-C4' energy: -118.122
flat angles P-C4'-P energy: -78.543
tors. eta vs tors. theta energy: -158.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1713.996925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.996925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.996925 (E_RNA)
where:
Base-Base interactions energy: -1169.785
where: short stacking energy: -509.928
Base-Backbone interact. energy: -2.159
local terms energy: -542.053199
where:
bonds (distance) C4'-P energy: -103.311
bonds (distance) P-C4' energy: -100.395
flat angles C4'-P-C4' energy: -113.378
flat angles P-C4'-P energy: -80.361
tors. eta vs tors. theta energy: -144.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1564.990135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.990135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.990135 (E_RNA)
where:
Base-Base interactions energy: -1070.213
where: short stacking energy: -462.273
Base-Backbone interact. energy: 0.633
local terms energy: -495.410569
where:
bonds (distance) C4'-P energy: -89.269
bonds (distance) P-C4' energy: -96.550
flat angles C4'-P-C4' energy: -107.142
flat angles P-C4'-P energy: -69.319
tors. eta vs tors. theta energy: -133.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1551.367285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.367285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.367285 (E_RNA)
where:
Base-Base interactions energy: -1046.141
where: short stacking energy: -454.797
Base-Backbone interact. energy: -1.154
local terms energy: -504.072245
where:
bonds (distance) C4'-P energy: -87.591
bonds (distance) P-C4' energy: -104.129
flat angles C4'-P-C4' energy: -105.571
flat angles P-C4'-P energy: -67.777
tors. eta vs tors. theta energy: -139.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1352.981282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.981282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.981282 (E_RNA)
where:
Base-Base interactions energy: -894.323
where: short stacking energy: -392.208
Base-Backbone interact. energy: -0.937
local terms energy: -457.720523
where:
bonds (distance) C4'-P energy: -92.304
bonds (distance) P-C4' energy: -98.561
flat angles C4'-P-C4' energy: -108.383
flat angles P-C4'-P energy: -59.864
tors. eta vs tors. theta energy: -98.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1237.869506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.869506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.869506 (E_RNA)
where:
Base-Base interactions energy: -800.776
where: short stacking energy: -369.223
Base-Backbone interact. energy: 0.984
local terms energy: -438.077578
where:
bonds (distance) C4'-P energy: -77.522
bonds (distance) P-C4' energy: -103.831
flat angles C4'-P-C4' energy: -93.191
flat angles P-C4'-P energy: -60.731
tors. eta vs tors. theta energy: -102.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1041.618865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.618865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.618865 (E_RNA)
where:
Base-Base interactions energy: -643.065
where: short stacking energy: -308.698
Base-Backbone interact. energy: -2.031
local terms energy: -396.523429
where:
bonds (distance) C4'-P energy: -69.169
bonds (distance) P-C4' energy: -83.093
flat angles C4'-P-C4' energy: -100.347
flat angles P-C4'-P energy: -56.199
tors. eta vs tors. theta energy: -87.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -954.572593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.572593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.572593 (E_RNA)
where:
Base-Base interactions energy: -577.819
where: short stacking energy: -285.533
Base-Backbone interact. energy: 0.039
local terms energy: -376.792823
where:
bonds (distance) C4'-P energy: -81.422
bonds (distance) P-C4' energy: -83.458
flat angles C4'-P-C4' energy: -98.048
flat angles P-C4'-P energy: -51.756
tors. eta vs tors. theta energy: -62.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -925.753419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.753419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.753419 (E_RNA)
where:
Base-Base interactions energy: -600.263
where: short stacking energy: -242.577
Base-Backbone interact. energy: 2.329
local terms energy: -327.819439
where:
bonds (distance) C4'-P energy: -77.215
bonds (distance) P-C4' energy: -89.061
flat angles C4'-P-C4' energy: -70.350
flat angles P-C4'-P energy: -45.871
tors. eta vs tors. theta energy: -45.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -632.666114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.666114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.666114 (E_RNA)
where:
Base-Base interactions energy: -350.961
where: short stacking energy: -196.510
Base-Backbone interact. energy: 0.713
local terms energy: -282.418460
where:
bonds (distance) C4'-P energy: -80.836
bonds (distance) P-C4' energy: -78.772
flat angles C4'-P-C4' energy: -74.896
flat angles P-C4'-P energy: -43.045
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1796.955853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.955853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.955853 (E_RNA)
where:
Base-Base interactions energy: -1234.147
where: short stacking energy: -527.800
Base-Backbone interact. energy: -1.485
local terms energy: -561.324342
where:
bonds (distance) C4'-P energy: -103.583
bonds (distance) P-C4' energy: -107.698
flat angles C4'-P-C4' energy: -116.894
flat angles P-C4'-P energy: -73.434
tors. eta vs tors. theta energy: -159.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1710.757078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.757078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.757078 (E_RNA)
where:
Base-Base interactions energy: -1167.673
where: short stacking energy: -488.485
Base-Backbone interact. energy: 0.091
local terms energy: -543.174874
where:
bonds (distance) C4'-P energy: -106.080
bonds (distance) P-C4' energy: -104.611
flat angles C4'-P-C4' energy: -106.200
flat angles P-C4'-P energy: -74.768
tors. eta vs tors. theta energy: -151.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1590.589261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.589261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.589261 (E_RNA)
where:
Base-Base interactions energy: -1068.166
where: short stacking energy: -488.669
Base-Backbone interact. energy: -0.016
local terms energy: -522.407210
where:
bonds (distance) C4'-P energy: -102.236
bonds (distance) P-C4' energy: -98.040
flat angles C4'-P-C4' energy: -105.770
flat angles P-C4'-P energy: -73.897
tors. eta vs tors. theta energy: -142.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1499.420496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.420496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.420496 (E_RNA)
where:
Base-Base interactions energy: -1014.361
where: short stacking energy: -448.911
Base-Backbone interact. energy: -1.117
local terms energy: -483.942566
where:
bonds (distance) C4'-P energy: -91.457
bonds (distance) P-C4' energy: -100.568
flat angles C4'-P-C4' energy: -100.467
flat angles P-C4'-P energy: -64.041
tors. eta vs tors. theta energy: -127.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1397.584655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.584655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.584655 (E_RNA)
where:
Base-Base interactions energy: -926.290
where: short stacking energy: -385.805
Base-Backbone interact. energy: 0.633
local terms energy: -471.927931
where:
bonds (distance) C4'-P energy: -90.696
bonds (distance) P-C4' energy: -103.810
flat angles C4'-P-C4' energy: -105.157
flat angles P-C4'-P energy: -66.463
tors. eta vs tors. theta energy: -105.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1195.599216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.599216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.599216 (E_RNA)
where:
Base-Base interactions energy: -756.284
where: short stacking energy: -330.908
Base-Backbone interact. energy: 0.353
local terms energy: -439.668060
where:
bonds (distance) C4'-P energy: -91.305
bonds (distance) P-C4' energy: -99.733
flat angles C4'-P-C4' energy: -93.412
flat angles P-C4'-P energy: -66.480
tors. eta vs tors. theta energy: -88.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1046.545413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.545413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.545413 (E_RNA)
where:
Base-Base interactions energy: -655.512
where: short stacking energy: -301.010
Base-Backbone interact. energy: 1.399
local terms energy: -392.432580
where:
bonds (distance) C4'-P energy: -89.832
bonds (distance) P-C4' energy: -89.224
flat angles C4'-P-C4' energy: -83.880
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -76.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1005.997583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.997583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.997583 (E_RNA)
where:
Base-Base interactions energy: -623.918
where: short stacking energy: -292.618
Base-Backbone interact. energy: 0.472
local terms energy: -382.551709
where:
bonds (distance) C4'-P energy: -93.293
bonds (distance) P-C4' energy: -87.525
flat angles C4'-P-C4' energy: -86.493
flat angles P-C4'-P energy: -46.987
tors. eta vs tors. theta energy: -68.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -800.970529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.970529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.970529 (E_RNA)
where:
Base-Base interactions energy: -487.284
where: short stacking energy: -206.003
Base-Backbone interact. energy: 0.900
local terms energy: -314.587176
where:
bonds (distance) C4'-P energy: -67.595
bonds (distance) P-C4' energy: -96.576
flat angles C4'-P-C4' energy: -86.208
flat angles P-C4'-P energy: -51.797
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -595.234943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.234943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.234943 (E_RNA)
where:
Base-Base interactions energy: -314.828
where: short stacking energy: -168.933
Base-Backbone interact. energy: 0.673
local terms energy: -281.079712
where:
bonds (distance) C4'-P energy: -88.193
bonds (distance) P-C4' energy: -76.707
flat angles C4'-P-C4' energy: -58.365
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1798.052723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.052723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.052723 (E_RNA)
where:
Base-Base interactions energy: -1235.031
where: short stacking energy: -526.731
Base-Backbone interact. energy: 0.143
local terms energy: -563.164762
where:
bonds (distance) C4'-P energy: -89.277
bonds (distance) P-C4' energy: -110.652
flat angles C4'-P-C4' energy: -122.726
flat angles P-C4'-P energy: -80.090
tors. eta vs tors. theta energy: -160.420
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: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1712.666214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.666214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.666214 (E_RNA)
where:
Base-Base interactions energy: -1178.553
where: short stacking energy: -497.201
Base-Backbone interact. energy: -3.172
local terms energy: -530.941369
where:
bonds (distance) C4'-P energy: -96.760
bonds (distance) P-C4' energy: -98.803
flat angles C4'-P-C4' energy: -120.057
flat angles P-C4'-P energy: -70.170
tors. eta vs tors. theta energy: -145.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1588.524205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.524205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.524205 (E_RNA)
where:
Base-Base interactions energy: -1069.595
where: short stacking energy: -458.857
Base-Backbone interact. energy: -3.310
local terms energy: -515.618354
where:
bonds (distance) C4'-P energy: -101.095
bonds (distance) P-C4' energy: -101.522
flat angles C4'-P-C4' energy: -111.151
flat angles P-C4'-P energy: -60.870
tors. eta vs tors. theta energy: -140.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1473.962388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.962388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.962388 (E_RNA)
where:
Base-Base interactions energy: -976.813
where: short stacking energy: -450.706
Base-Backbone interact. energy: -1.235
local terms energy: -495.914449
where:
bonds (distance) C4'-P energy: -103.134
bonds (distance) P-C4' energy: -83.610
flat angles C4'-P-C4' energy: -112.810
flat angles P-C4'-P energy: -67.813
tors. eta vs tors. theta energy: -128.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1465.917071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.917071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.917071 (E_RNA)
where:
Base-Base interactions energy: -990.914
where: short stacking energy: -467.948
Base-Backbone interact. energy: -2.721
local terms energy: -472.282564
where:
bonds (distance) C4'-P energy: -83.660
bonds (distance) P-C4' energy: -87.718
flat angles C4'-P-C4' energy: -101.041
flat angles P-C4'-P energy: -63.296
tors. eta vs tors. theta energy: -136.568
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: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1259.193168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.193168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.193168 (E_RNA)
where:
Base-Base interactions energy: -812.636
where: short stacking energy: -367.802
Base-Backbone interact. energy: -1.412
local terms energy: -445.145651
where:
bonds (distance) C4'-P energy: -89.711
bonds (distance) P-C4' energy: -91.197
flat angles C4'-P-C4' energy: -108.822
flat angles P-C4'-P energy: -50.491
tors. eta vs tors. theta energy: -104.924
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: 7, replica: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1044.975046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.975046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.975046 (E_RNA)
where:
Base-Base interactions energy: -661.968
where: short stacking energy: -305.540
Base-Backbone interact. energy: -1.088
local terms energy: -381.918755
where:
bonds (distance) C4'-P energy: -86.321
bonds (distance) P-C4' energy: -81.299
flat angles C4'-P-C4' energy: -87.541
flat angles P-C4'-P energy: -61.719
tors. eta vs tors. theta energy: -65.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -954.530648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.530648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.530648 (E_RNA)
where:
Base-Base interactions energy: -611.954
where: short stacking energy: -277.695
Base-Backbone interact. energy: 1.033
local terms energy: -343.609379
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -89.371
flat angles C4'-P-C4' energy: -87.842
flat angles P-C4'-P energy: -63.255
tors. eta vs tors. theta energy: -43.751
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: 10
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -826.264491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.264491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.264491 (E_RNA)
where:
Base-Base interactions energy: -487.292
where: short stacking energy: -236.447
Base-Backbone interact. energy: 0.759
local terms energy: -339.731422
where:
bonds (distance) C4'-P energy: -70.361
bonds (distance) P-C4' energy: -80.077
flat angles C4'-P-C4' energy: -94.968
flat angles P-C4'-P energy: -54.537
tors. eta vs tors. theta energy: -39.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -568.718370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.718370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.718370 (E_RNA)
where:
Base-Base interactions energy: -289.294
where: short stacking energy: -151.773
Base-Backbone interact. energy: 0.094
local terms energy: -279.518087
where:
bonds (distance) C4'-P energy: -83.407
bonds (distance) P-C4' energy: -96.429
flat angles C4'-P-C4' energy: -57.373
flat angles P-C4'-P energy: -43.351
tors. eta vs tors. theta energy: 1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1801.063089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.063089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.063089 (E_RNA)
where:
Base-Base interactions energy: -1256.885
where: short stacking energy: -550.985
Base-Backbone interact. energy: -2.765
local terms energy: -541.412772
where:
bonds (distance) C4'-P energy: -88.432
bonds (distance) P-C4' energy: -94.432
flat angles C4'-P-C4' energy: -117.422
flat angles P-C4'-P energy: -79.514
tors. eta vs tors. theta energy: -161.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1731.786453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.786453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.786453 (E_RNA)
where:
Base-Base interactions energy: -1190.417
where: short stacking energy: -495.424
Base-Backbone interact. energy: -1.309
local terms energy: -540.059832
where:
bonds (distance) C4'-P energy: -104.527
bonds (distance) P-C4' energy: -97.361
flat angles C4'-P-C4' energy: -108.161
flat angles P-C4'-P energy: -79.201
tors. eta vs tors. theta energy: -150.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1591.299275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.299275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.299275 (E_RNA)
where:
Base-Base interactions energy: -1065.265
where: short stacking energy: -465.758
Base-Backbone interact. energy: -1.672
local terms energy: -524.362379
where:
bonds (distance) C4'-P energy: -94.967
bonds (distance) P-C4' energy: -98.889
flat angles C4'-P-C4' energy: -108.563
flat angles P-C4'-P energy: -83.191
tors. eta vs tors. theta energy: -138.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1442.343784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.343784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.343784 (E_RNA)
where:
Base-Base interactions energy: -951.400
where: short stacking energy: -430.433
Base-Backbone interact. energy: 1.825
local terms energy: -492.768467
where:
bonds (distance) C4'-P energy: -100.467
bonds (distance) P-C4' energy: -91.982
flat angles C4'-P-C4' energy: -108.654
flat angles P-C4'-P energy: -62.541
tors. eta vs tors. theta energy: -129.124
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: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1454.385026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.385026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.385026 (E_RNA)
where:
Base-Base interactions energy: -976.449
where: short stacking energy: -433.118
Base-Backbone interact. energy: -1.716
local terms energy: -476.220101
where:
bonds (distance) C4'-P energy: -68.835
bonds (distance) P-C4' energy: -100.997
flat angles C4'-P-C4' energy: -101.672
flat angles P-C4'-P energy: -75.393
tors. eta vs tors. theta energy: -129.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1262.981095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.981095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.981095 (E_RNA)
where:
Base-Base interactions energy: -833.144
where: short stacking energy: -371.004
Base-Backbone interact. energy: -1.112
local terms energy: -428.725640
where:
bonds (distance) C4'-P energy: -67.564
bonds (distance) P-C4' energy: -101.431
flat angles C4'-P-C4' energy: -101.992
flat angles P-C4'-P energy: -63.429
tors. eta vs tors. theta energy: -94.309
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: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1030.736733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.736733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.736733 (E_RNA)
where:
Base-Base interactions energy: -659.760
where: short stacking energy: -329.168
Base-Backbone interact. energy: -2.104
local terms energy: -368.873579
where:
bonds (distance) C4'-P energy: -91.374
bonds (distance) P-C4' energy: -80.983
flat angles C4'-P-C4' energy: -84.097
flat angles P-C4'-P energy: -43.025
tors. eta vs tors. theta energy: -69.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -896.536608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.536608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.536608 (E_RNA)
where:
Base-Base interactions energy: -540.517
where: short stacking energy: -259.343
Base-Backbone interact. energy: 1.581
local terms energy: -357.600582
where:
bonds (distance) C4'-P energy: -89.393
bonds (distance) P-C4' energy: -88.010
flat angles C4'-P-C4' energy: -85.293
flat angles P-C4'-P energy: -47.494
tors. eta vs tors. theta energy: -47.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -816.062843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.062843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.062843 (E_RNA)
where:
Base-Base interactions energy: -492.421
where: short stacking energy: -241.498
Base-Backbone interact. energy: -0.542
local terms energy: -323.100372
where:
bonds (distance) C4'-P energy: -97.011
bonds (distance) P-C4' energy: -76.939
flat angles C4'-P-C4' energy: -73.988
flat angles P-C4'-P energy: -48.073
tors. eta vs tors. theta energy: -27.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -546.989561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.989561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.989561 (E_RNA)
where:
Base-Base interactions energy: -277.264
where: short stacking energy: -145.426
Base-Backbone interact. energy: -0.885
local terms energy: -268.840435
where:
bonds (distance) C4'-P energy: -82.734
bonds (distance) P-C4' energy: -96.733
flat angles C4'-P-C4' energy: -60.373
flat angles P-C4'-P energy: -33.178
tors. eta vs tors. theta energy: 4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1773.891997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.891997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.891997 (E_RNA)
where:
Base-Base interactions energy: -1228.850
where: short stacking energy: -518.097
Base-Backbone interact. energy: -0.943
local terms energy: -544.099892
where:
bonds (distance) C4'-P energy: -93.083
bonds (distance) P-C4' energy: -105.668
flat angles C4'-P-C4' energy: -114.813
flat angles P-C4'-P energy: -74.570
tors. eta vs tors. theta energy: -155.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1713.013756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.013756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.013756 (E_RNA)
where:
Base-Base interactions energy: -1184.075
where: short stacking energy: -503.915
Base-Backbone interact. energy: -4.134
local terms energy: -524.805300
where:
bonds (distance) C4'-P energy: -84.729
bonds (distance) P-C4' energy: -95.169
flat angles C4'-P-C4' energy: -111.541
flat angles P-C4'-P energy: -80.527
tors. eta vs tors. theta energy: -152.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1567.670135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.670135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.670135 (E_RNA)
where:
Base-Base interactions energy: -1045.448
where: short stacking energy: -451.736
Base-Backbone interact. energy: -1.506
local terms energy: -520.716068
where:
bonds (distance) C4'-P energy: -89.007
bonds (distance) P-C4' energy: -99.549
flat angles C4'-P-C4' energy: -115.027
flat angles P-C4'-P energy: -83.832
tors. eta vs tors. theta energy: -133.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1485.619957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.619957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.619957 (E_RNA)
where:
Base-Base interactions energy: -1013.450
where: short stacking energy: -423.954
Base-Backbone interact. energy: 2.724
local terms energy: -474.893300
where:
bonds (distance) C4'-P energy: -99.464
bonds (distance) P-C4' energy: -81.793
flat angles C4'-P-C4' energy: -93.854
flat angles P-C4'-P energy: -73.027
tors. eta vs tors. theta energy: -126.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1377.869255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.869255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.869255 (E_RNA)
where:
Base-Base interactions energy: -919.177
where: short stacking energy: -375.968
Base-Backbone interact. energy: -0.736
local terms energy: -457.956904
where:
bonds (distance) C4'-P energy: -74.018
bonds (distance) P-C4' energy: -91.619
flat angles C4'-P-C4' energy: -110.845
flat angles P-C4'-P energy: -71.248
tors. eta vs tors. theta energy: -110.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1285.209672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.209672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.209672 (E_RNA)
where:
Base-Base interactions energy: -807.750
where: short stacking energy: -359.597
Base-Backbone interact. energy: -1.876
local terms energy: -475.584233
where:
bonds (distance) C4'-P energy: -96.650
bonds (distance) P-C4' energy: -107.599
flat angles C4'-P-C4' energy: -101.519
flat angles P-C4'-P energy: -79.544
tors. eta vs tors. theta energy: -90.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1004.918051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.918051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.918051 (E_RNA)
where:
Base-Base interactions energy: -638.077
where: short stacking energy: -263.979
Base-Backbone interact. energy: 1.172
local terms energy: -368.013126
where:
bonds (distance) C4'-P energy: -81.791
bonds (distance) P-C4' energy: -105.264
flat angles C4'-P-C4' energy: -96.366
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -40.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -913.043470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.043470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.043470 (E_RNA)
where:
Base-Base interactions energy: -540.941
where: short stacking energy: -265.684
Base-Backbone interact. energy: -1.110
local terms energy: -370.992439
where:
bonds (distance) C4'-P energy: -67.628
bonds (distance) P-C4' energy: -90.960
flat angles C4'-P-C4' energy: -96.671
flat angles P-C4'-P energy: -61.694
tors. eta vs tors. theta energy: -54.040
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: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -800.509644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.509644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.509644 (E_RNA)
where:
Base-Base interactions energy: -489.107
where: short stacking energy: -225.109
Base-Backbone interact. energy: 2.712
local terms energy: -314.114741
where:
bonds (distance) C4'-P energy: -74.726
bonds (distance) P-C4' energy: -86.927
flat angles C4'-P-C4' energy: -78.912
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: -42.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -537.645207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.645207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.645207 (E_RNA)
where:
Base-Base interactions energy: -231.680
where: short stacking energy: -126.779
Base-Backbone interact. energy: 2.072
local terms energy: -308.036964
where:
bonds (distance) C4'-P energy: -81.664
bonds (distance) P-C4' energy: -101.546
flat angles C4'-P-C4' energy: -88.227
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: 10.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1809.728272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.728272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.728272 (E_RNA)
where:
Base-Base interactions energy: -1243.228
where: short stacking energy: -536.379
Base-Backbone interact. energy: -0.447
local terms energy: -566.052791
where:
bonds (distance) C4'-P energy: -98.526
bonds (distance) P-C4' energy: -106.070
flat angles C4'-P-C4' energy: -109.078
flat angles P-C4'-P energy: -87.941
tors. eta vs tors. theta energy: -164.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1698.124774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.124774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.124774 (E_RNA)
where:
Base-Base interactions energy: -1170.790
where: short stacking energy: -480.614
Base-Backbone interact. energy: -1.707
local terms energy: -525.627407
where:
bonds (distance) C4'-P energy: -96.526
bonds (distance) P-C4' energy: -100.646
flat angles C4'-P-C4' energy: -109.817
flat angles P-C4'-P energy: -74.930
tors. eta vs tors. theta energy: -143.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1559.822610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.822610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.822610 (E_RNA)
where:
Base-Base interactions energy: -1071.008
where: short stacking energy: -442.576
Base-Backbone interact. energy: -0.103
local terms energy: -488.710764
where:
bonds (distance) C4'-P energy: -99.505
bonds (distance) P-C4' energy: -96.842
flat angles C4'-P-C4' energy: -106.592
flat angles P-C4'-P energy: -61.028
tors. eta vs tors. theta energy: -124.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1546.477507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.477507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.477507 (E_RNA)
where:
Base-Base interactions energy: -1039.312
where: short stacking energy: -460.678
Base-Backbone interact. energy: 0.442
local terms energy: -507.607147
where:
bonds (distance) C4'-P energy: -91.362
bonds (distance) P-C4' energy: -98.797
flat angles C4'-P-C4' energy: -106.879
flat angles P-C4'-P energy: -77.401
tors. eta vs tors. theta energy: -133.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1400.240724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.240724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.240724 (E_RNA)
where:
Base-Base interactions energy: -923.325
where: short stacking energy: -367.680
Base-Backbone interact. energy: -1.612
local terms energy: -475.304364
where:
bonds (distance) C4'-P energy: -90.733
bonds (distance) P-C4' energy: -100.265
flat angles C4'-P-C4' energy: -110.551
flat angles P-C4'-P energy: -65.991
tors. eta vs tors. theta energy: -107.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1313.909992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.909992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.909992 (E_RNA)
where:
Base-Base interactions energy: -856.400
where: short stacking energy: -386.011
Base-Backbone interact. energy: -4.522
local terms energy: -452.987545
where:
bonds (distance) C4'-P energy: -85.589
bonds (distance) P-C4' energy: -84.824
flat angles C4'-P-C4' energy: -99.548
flat angles P-C4'-P energy: -76.501
tors. eta vs tors. theta energy: -106.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1024.964064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.964064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.964064 (E_RNA)
where:
Base-Base interactions energy: -651.068
where: short stacking energy: -285.255
Base-Backbone interact. energy: 0.530
local terms energy: -374.426425
where:
bonds (distance) C4'-P energy: -81.222
bonds (distance) P-C4' energy: -85.289
flat angles C4'-P-C4' energy: -87.359
flat angles P-C4'-P energy: -62.266
tors. eta vs tors. theta energy: -58.291
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: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -974.877780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.877780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.877780 (E_RNA)
where:
Base-Base interactions energy: -609.095
where: short stacking energy: -285.626
Base-Backbone interact. energy: -2.594
local terms energy: -363.188450
where:
bonds (distance) C4'-P energy: -87.720
bonds (distance) P-C4' energy: -91.632
flat angles C4'-P-C4' energy: -78.441
flat angles P-C4'-P energy: -46.759
tors. eta vs tors. theta energy: -58.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -893.520750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.520750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.520750 (E_RNA)
where:
Base-Base interactions energy: -540.330
where: short stacking energy: -248.230
Base-Backbone interact. energy: 4.638
local terms energy: -357.828521
where:
bonds (distance) C4'-P energy: -88.697
bonds (distance) P-C4' energy: -89.349
flat angles C4'-P-C4' energy: -93.205
flat angles P-C4'-P energy: -40.543
tors. eta vs tors. theta energy: -46.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -556.950132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.950132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.950132 (E_RNA)
where:
Base-Base interactions energy: -278.105
where: short stacking energy: -147.976
Base-Backbone interact. energy: -2.587
local terms energy: -276.257783
where:
bonds (distance) C4'-P energy: -81.027
bonds (distance) P-C4' energy: -90.390
flat angles C4'-P-C4' energy: -79.146
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: 12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1784.918246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.918246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.918246 (E_RNA)
where:
Base-Base interactions energy: -1217.845
where: short stacking energy: -526.764
Base-Backbone interact. energy: -0.208
local terms energy: -566.865132
where:
bonds (distance) C4'-P energy: -100.556
bonds (distance) P-C4' energy: -107.965
flat angles C4'-P-C4' energy: -120.667
flat angles P-C4'-P energy: -83.863
tors. eta vs tors. theta energy: -153.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1691.718713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.718713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.718713 (E_RNA)
where:
Base-Base interactions energy: -1168.581
where: short stacking energy: -491.526
Base-Backbone interact. energy: -3.611
local terms energy: -519.526217
where:
bonds (distance) C4'-P energy: -94.759
bonds (distance) P-C4' energy: -96.456
flat angles C4'-P-C4' energy: -113.286
flat angles P-C4'-P energy: -65.612
tors. eta vs tors. theta energy: -149.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1572.405904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.405904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.405904 (E_RNA)
where:
Base-Base interactions energy: -1081.552
where: short stacking energy: -468.410
Base-Backbone interact. energy: -3.105
local terms energy: -487.749022
where:
bonds (distance) C4'-P energy: -92.407
bonds (distance) P-C4' energy: -89.160
flat angles C4'-P-C4' energy: -104.763
flat angles P-C4'-P energy: -67.860
tors. eta vs tors. theta energy: -133.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1523.727441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.727441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.727441 (E_RNA)
where:
Base-Base interactions energy: -1039.619
where: short stacking energy: -475.426
Base-Backbone interact. energy: 1.591
local terms energy: -485.699489
where:
bonds (distance) C4'-P energy: -80.659
bonds (distance) P-C4' energy: -91.044
flat angles C4'-P-C4' energy: -113.195
flat angles P-C4'-P energy: -65.855
tors. eta vs tors. theta energy: -134.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1389.123249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.123249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.123249 (E_RNA)
where:
Base-Base interactions energy: -938.629
where: short stacking energy: -405.579
Base-Backbone interact. energy: -0.662
local terms energy: -449.831400
where:
bonds (distance) C4'-P energy: -93.504
bonds (distance) P-C4' energy: -88.881
flat angles C4'-P-C4' energy: -96.185
flat angles P-C4'-P energy: -52.451
tors. eta vs tors. theta energy: -118.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1295.133790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.133790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.133790 (E_RNA)
where:
Base-Base interactions energy: -832.213
where: short stacking energy: -365.821
Base-Backbone interact. energy: 0.655
local terms energy: -463.575395
where:
bonds (distance) C4'-P energy: -93.614
bonds (distance) P-C4' energy: -87.176
flat angles C4'-P-C4' energy: -106.694
flat angles P-C4'-P energy: -68.088
tors. eta vs tors. theta energy: -108.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1057.090994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.090994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.090994 (E_RNA)
where:
Base-Base interactions energy: -665.641
where: short stacking energy: -295.501
Base-Backbone interact. energy: -2.880
local terms energy: -388.570272
where:
bonds (distance) C4'-P energy: -99.586
bonds (distance) P-C4' energy: -91.812
flat angles C4'-P-C4' energy: -78.729
flat angles P-C4'-P energy: -56.806
tors. eta vs tors. theta energy: -61.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -951.989065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.989065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.989065 (E_RNA)
where:
Base-Base interactions energy: -602.340
where: short stacking energy: -271.916
Base-Backbone interact. energy: 2.350
local terms energy: -351.998986
where:
bonds (distance) C4'-P energy: -87.949
bonds (distance) P-C4' energy: -81.468
flat angles C4'-P-C4' energy: -82.065
flat angles P-C4'-P energy: -53.573
tors. eta vs tors. theta energy: -46.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -906.976468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.976468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.976468 (E_RNA)
where:
Base-Base interactions energy: -568.398
where: short stacking energy: -262.313
Base-Backbone interact. energy: 1.167
local terms energy: -339.745621
where:
bonds (distance) C4'-P energy: -89.720
bonds (distance) P-C4' energy: -99.200
flat angles C4'-P-C4' energy: -74.957
flat angles P-C4'-P energy: -40.008
tors. eta vs tors. theta energy: -35.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -560.149872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.149872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.149872 (E_RNA)
where:
Base-Base interactions energy: -276.375
where: short stacking energy: -166.918
Base-Backbone interact. energy: 0.348
local terms energy: -284.122364
where:
bonds (distance) C4'-P energy: -76.874
bonds (distance) P-C4' energy: -83.311
flat angles C4'-P-C4' energy: -82.543
flat angles P-C4'-P energy: -29.835
tors. eta vs tors. theta energy: -11.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1804.172721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.172721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.172721 (E_RNA)
where:
Base-Base interactions energy: -1246.052
where: short stacking energy: -550.173
Base-Backbone interact. energy: -1.375
local terms energy: -556.745758
where:
bonds (distance) C4'-P energy: -104.516
bonds (distance) P-C4' energy: -96.641
flat angles C4'-P-C4' energy: -121.788
flat angles P-C4'-P energy: -71.323
tors. eta vs tors. theta energy: -162.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1694.355101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.355101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.355101 (E_RNA)
where:
Base-Base interactions energy: -1177.787
where: short stacking energy: -476.096
Base-Backbone interact. energy: -1.045
local terms energy: -515.523407
where:
bonds (distance) C4'-P energy: -86.868
bonds (distance) P-C4' energy: -102.308
flat angles C4'-P-C4' energy: -110.767
flat angles P-C4'-P energy: -79.733
tors. eta vs tors. theta energy: -135.848
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: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1581.709211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.709211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.709211 (E_RNA)
where:
Base-Base interactions energy: -1061.283
where: short stacking energy: -473.087
Base-Backbone interact. energy: -2.784
local terms energy: -517.642431
where:
bonds (distance) C4'-P energy: -85.327
bonds (distance) P-C4' energy: -101.222
flat angles C4'-P-C4' energy: -116.548
flat angles P-C4'-P energy: -77.818
tors. eta vs tors. theta energy: -136.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1492.002250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.002250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.002250 (E_RNA)
where:
Base-Base interactions energy: -1014.894
where: short stacking energy: -441.507
Base-Backbone interact. energy: -0.056
local terms energy: -477.052233
where:
bonds (distance) C4'-P energy: -86.147
bonds (distance) P-C4' energy: -80.872
flat angles C4'-P-C4' energy: -109.881
flat angles P-C4'-P energy: -77.000
tors. eta vs tors. theta energy: -123.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1388.341844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.341844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.341844 (E_RNA)
where:
Base-Base interactions energy: -929.846
where: short stacking energy: -406.492
Base-Backbone interact. energy: -1.821
local terms energy: -456.674798
where:
bonds (distance) C4'-P energy: -91.573
bonds (distance) P-C4' energy: -95.378
flat angles C4'-P-C4' energy: -96.344
flat angles P-C4'-P energy: -63.147
tors. eta vs tors. theta energy: -110.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1305.193219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.193219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.193219 (E_RNA)
where:
Base-Base interactions energy: -869.829
where: short stacking energy: -363.917
Base-Backbone interact. energy: -2.172
local terms energy: -433.192261
where:
bonds (distance) C4'-P energy: -82.467
bonds (distance) P-C4' energy: -86.770
flat angles C4'-P-C4' energy: -90.070
flat angles P-C4'-P energy: -69.069
tors. eta vs tors. theta energy: -104.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1079.141462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.141462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.141462 (E_RNA)
where:
Base-Base interactions energy: -713.160
where: short stacking energy: -321.602
Base-Backbone interact. energy: 1.681
local terms energy: -367.662122
where:
bonds (distance) C4'-P energy: -78.200
bonds (distance) P-C4' energy: -81.461
flat angles C4'-P-C4' energy: -89.558
flat angles P-C4'-P energy: -58.220
tors. eta vs tors. theta energy: -60.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -950.154085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.154085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.154085 (E_RNA)
where:
Base-Base interactions energy: -581.431
where: short stacking energy: -267.408
Base-Backbone interact. energy: 1.236
local terms energy: -369.958456
where:
bonds (distance) C4'-P energy: -93.002
bonds (distance) P-C4' energy: -87.543
flat angles C4'-P-C4' energy: -81.547
flat angles P-C4'-P energy: -46.959
tors. eta vs tors. theta energy: -60.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -868.659094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.659094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.659094 (E_RNA)
where:
Base-Base interactions energy: -507.241
where: short stacking energy: -231.006
Base-Backbone interact. energy: -0.511
local terms energy: -360.906638
where:
bonds (distance) C4'-P energy: -91.955
bonds (distance) P-C4' energy: -93.361
flat angles C4'-P-C4' energy: -86.331
flat angles P-C4'-P energy: -43.662
tors. eta vs tors. theta energy: -45.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -547.097395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.097395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.097395 (E_RNA)
where:
Base-Base interactions energy: -268.991
where: short stacking energy: -147.945
Base-Backbone interact. energy: -2.083
local terms energy: -276.023572
where:
bonds (distance) C4'-P energy: -73.884
bonds (distance) P-C4' energy: -86.155
flat angles C4'-P-C4' energy: -63.627
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1773.556015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.556015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.556015 (E_RNA)
where:
Base-Base interactions energy: -1196.211
where: short stacking energy: -500.997
Base-Backbone interact. energy: 1.241
local terms energy: -578.586409
where:
bonds (distance) C4'-P energy: -101.660
bonds (distance) P-C4' energy: -118.080
flat angles C4'-P-C4' energy: -120.750
flat angles P-C4'-P energy: -77.121
tors. eta vs tors. theta energy: -160.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1699.670195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.670195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.670195 (E_RNA)
where:
Base-Base interactions energy: -1182.286
where: short stacking energy: -483.476
Base-Backbone interact. energy: -0.295
local terms energy: -517.088872
where:
bonds (distance) C4'-P energy: -91.861
bonds (distance) P-C4' energy: -114.346
flat angles C4'-P-C4' energy: -102.642
flat angles P-C4'-P energy: -66.877
tors. eta vs tors. theta energy: -141.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1564.193400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.193400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.193400 (E_RNA)
where:
Base-Base interactions energy: -1037.677
where: short stacking energy: -458.970
Base-Backbone interact. energy: -0.514
local terms energy: -526.002725
where:
bonds (distance) C4'-P energy: -92.547
bonds (distance) P-C4' energy: -104.704
flat angles C4'-P-C4' energy: -115.603
flat angles P-C4'-P energy: -74.140
tors. eta vs tors. theta energy: -139.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1529.528802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.528802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.528802 (E_RNA)
where:
Base-Base interactions energy: -1057.002
where: short stacking energy: -445.681
Base-Backbone interact. energy: -1.097
local terms energy: -471.430278
where:
bonds (distance) C4'-P energy: -87.125
bonds (distance) P-C4' energy: -93.655
flat angles C4'-P-C4' energy: -104.016
flat angles P-C4'-P energy: -57.935
tors. eta vs tors. theta energy: -128.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1353.012608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.012608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.012608 (E_RNA)
where:
Base-Base interactions energy: -881.413
where: short stacking energy: -397.011
Base-Backbone interact. energy: 0.863
local terms energy: -472.462339
where:
bonds (distance) C4'-P energy: -94.754
bonds (distance) P-C4' energy: -93.009
flat angles C4'-P-C4' energy: -105.334
flat angles P-C4'-P energy: -67.921
tors. eta vs tors. theta energy: -111.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1302.997821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.997821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.997821 (E_RNA)
where:
Base-Base interactions energy: -883.113
where: short stacking energy: -385.384
Base-Backbone interact. energy: 0.825
local terms energy: -420.709953
where:
bonds (distance) C4'-P energy: -82.550
bonds (distance) P-C4' energy: -89.910
flat angles C4'-P-C4' energy: -104.361
flat angles P-C4'-P energy: -52.102
tors. eta vs tors. theta energy: -91.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1098.764985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.764985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.764985 (E_RNA)
where:
Base-Base interactions energy: -709.084
where: short stacking energy: -311.598
Base-Backbone interact. energy: 1.311
local terms energy: -390.991515
where:
bonds (distance) C4'-P energy: -87.710
bonds (distance) P-C4' energy: -85.267
flat angles C4'-P-C4' energy: -90.707
flat angles P-C4'-P energy: -62.622
tors. eta vs tors. theta energy: -64.686
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: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1004.748944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.748944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.748944 (E_RNA)
where:
Base-Base interactions energy: -613.127
where: short stacking energy: -250.748
Base-Backbone interact. energy: -3.479
local terms energy: -388.142365
where:
bonds (distance) C4'-P energy: -92.300
bonds (distance) P-C4' energy: -91.540
flat angles C4'-P-C4' energy: -96.133
flat angles P-C4'-P energy: -60.221
tors. eta vs tors. theta energy: -47.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -820.815815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.815815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.815815 (E_RNA)
where:
Base-Base interactions energy: -479.569
where: short stacking energy: -222.312
Base-Backbone interact. energy: 7.176
local terms energy: -348.423322
where:
bonds (distance) C4'-P energy: -78.500
bonds (distance) P-C4' energy: -95.681
flat angles C4'-P-C4' energy: -80.935
flat angles P-C4'-P energy: -59.975
tors. eta vs tors. theta energy: -33.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -542.886647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.886647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.886647 (E_RNA)
where:
Base-Base interactions energy: -257.815
where: short stacking energy: -151.468
Base-Backbone interact. energy: -0.910
local terms energy: -284.161697
where:
bonds (distance) C4'-P energy: -78.243
bonds (distance) P-C4' energy: -94.175
flat angles C4'-P-C4' energy: -73.911
flat angles P-C4'-P energy: -31.967
tors. eta vs tors. theta energy: -5.866
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: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1762.317283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.317283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.317283 (E_RNA)
where:
Base-Base interactions energy: -1224.277
where: short stacking energy: -520.703
Base-Backbone interact. energy: -1.531
local terms energy: -536.509702
where:
bonds (distance) C4'-P energy: -85.812
bonds (distance) P-C4' energy: -105.276
flat angles C4'-P-C4' energy: -120.876
flat angles P-C4'-P energy: -71.400
tors. eta vs tors. theta energy: -153.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1691.645121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.645121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.645121 (E_RNA)
where:
Base-Base interactions energy: -1160.328
where: short stacking energy: -469.477
Base-Backbone interact. energy: -1.340
local terms energy: -529.976722
where:
bonds (distance) C4'-P energy: -105.475
bonds (distance) P-C4' energy: -111.485
flat angles C4'-P-C4' energy: -98.328
flat angles P-C4'-P energy: -76.330
tors. eta vs tors. theta energy: -138.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1559.238204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.238204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.238204 (E_RNA)
where:
Base-Base interactions energy: -1065.819
where: short stacking energy: -458.298
Base-Backbone interact. energy: -1.902
local terms energy: -491.516335
where:
bonds (distance) C4'-P energy: -87.034
bonds (distance) P-C4' energy: -93.530
flat angles C4'-P-C4' energy: -118.243
flat angles P-C4'-P energy: -66.947
tors. eta vs tors. theta energy: -125.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1539.926019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.926019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.926019 (E_RNA)
where:
Base-Base interactions energy: -1041.465
where: short stacking energy: -462.852
Base-Backbone interact. energy: -1.855
local terms energy: -496.605900
where:
bonds (distance) C4'-P energy: -100.532
bonds (distance) P-C4' energy: -94.838
flat angles C4'-P-C4' energy: -96.424
flat angles P-C4'-P energy: -76.427
tors. eta vs tors. theta energy: -128.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1372.220466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.220466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.220466 (E_RNA)
where:
Base-Base interactions energy: -891.933
where: short stacking energy: -395.267
Base-Backbone interact. energy: -1.421
local terms energy: -478.866279
where:
bonds (distance) C4'-P energy: -96.969
bonds (distance) P-C4' energy: -99.315
flat angles C4'-P-C4' energy: -106.134
flat angles P-C4'-P energy: -66.438
tors. eta vs tors. theta energy: -110.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1278.395566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.395566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.395566 (E_RNA)
where:
Base-Base interactions energy: -856.847
where: short stacking energy: -374.145
Base-Backbone interact. energy: -2.282
local terms energy: -419.267119
where:
bonds (distance) C4'-P energy: -81.263
bonds (distance) P-C4' energy: -82.993
flat angles C4'-P-C4' energy: -90.149
flat angles P-C4'-P energy: -68.703
tors. eta vs tors. theta energy: -96.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1084.794058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.794058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.794058 (E_RNA)
where:
Base-Base interactions energy: -712.828
where: short stacking energy: -323.833
Base-Backbone interact. energy: -1.128
local terms energy: -370.837947
where:
bonds (distance) C4'-P energy: -87.395
bonds (distance) P-C4' energy: -86.119
flat angles C4'-P-C4' energy: -81.684
flat angles P-C4'-P energy: -44.484
tors. eta vs tors. theta energy: -71.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1015.156310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.156310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.156310 (E_RNA)
where:
Base-Base interactions energy: -643.080
where: short stacking energy: -295.048
Base-Backbone interact. energy: -1.861
local terms energy: -370.215366
where:
bonds (distance) C4'-P energy: -89.350
bonds (distance) P-C4' energy: -82.082
flat angles C4'-P-C4' energy: -71.881
flat angles P-C4'-P energy: -54.756
tors. eta vs tors. theta energy: -72.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -773.980580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.980580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.980580 (E_RNA)
where:
Base-Base interactions energy: -419.576
where: short stacking energy: -237.656
Base-Backbone interact. energy: -1.628
local terms energy: -352.776209
where:
bonds (distance) C4'-P energy: -86.418
bonds (distance) P-C4' energy: -97.859
flat angles C4'-P-C4' energy: -82.858
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: -42.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -536.782980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.782980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.782980 (E_RNA)
where:
Base-Base interactions energy: -273.449
where: short stacking energy: -136.934
Base-Backbone interact. energy: -0.248
local terms energy: -263.085635
where:
bonds (distance) C4'-P energy: -73.866
bonds (distance) P-C4' energy: -74.315
flat angles C4'-P-C4' energy: -64.367
flat angles P-C4'-P energy: -58.290
tors. eta vs tors. theta energy: 7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1781.860797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.860797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.860797 (E_RNA)
where:
Base-Base interactions energy: -1210.824
where: short stacking energy: -526.946
Base-Backbone interact. energy: -2.892
local terms energy: -568.144892
where:
bonds (distance) C4'-P energy: -106.851
bonds (distance) P-C4' energy: -106.113
flat angles C4'-P-C4' energy: -124.412
flat angles P-C4'-P energy: -75.558
tors. eta vs tors. theta energy: -155.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1678.300487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.300487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.300487 (E_RNA)
where:
Base-Base interactions energy: -1147.576
where: short stacking energy: -481.094
Base-Backbone interact. energy: -2.710
local terms energy: -528.013897
where:
bonds (distance) C4'-P energy: -88.003
bonds (distance) P-C4' energy: -105.413
flat angles C4'-P-C4' energy: -115.512
flat angles P-C4'-P energy: -76.505
tors. eta vs tors. theta energy: -142.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1572.009130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.009130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.009130 (E_RNA)
where:
Base-Base interactions energy: -1067.205
where: short stacking energy: -479.284
Base-Backbone interact. energy: 1.969
local terms energy: -506.773088
where:
bonds (distance) C4'-P energy: -90.264
bonds (distance) P-C4' energy: -99.987
flat angles C4'-P-C4' energy: -100.414
flat angles P-C4'-P energy: -74.362
tors. eta vs tors. theta energy: -141.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1496.520892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.520892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.520892 (E_RNA)
where:
Base-Base interactions energy: -998.164
where: short stacking energy: -429.787
Base-Backbone interact. energy: -1.654
local terms energy: -496.702234
where:
bonds (distance) C4'-P energy: -91.647
bonds (distance) P-C4' energy: -99.870
flat angles C4'-P-C4' energy: -100.957
flat angles P-C4'-P energy: -71.322
tors. eta vs tors. theta energy: -132.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1369.969654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.969654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.969654 (E_RNA)
where:
Base-Base interactions energy: -900.535
where: short stacking energy: -401.781
Base-Backbone interact. energy: -1.593
local terms energy: -467.841755
where:
bonds (distance) C4'-P energy: -96.519
bonds (distance) P-C4' energy: -89.961
flat angles C4'-P-C4' energy: -105.690
flat angles P-C4'-P energy: -58.076
tors. eta vs tors. theta energy: -117.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1255.462866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.462866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.462866 (E_RNA)
where:
Base-Base interactions energy: -822.530
where: short stacking energy: -371.956
Base-Backbone interact. energy: -1.024
local terms energy: -431.908839
where:
bonds (distance) C4'-P energy: -82.595
bonds (distance) P-C4' energy: -94.100
flat angles C4'-P-C4' energy: -105.589
flat angles P-C4'-P energy: -61.395
tors. eta vs tors. theta energy: -88.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1074.924606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.924606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.924606 (E_RNA)
where:
Base-Base interactions energy: -712.698
where: short stacking energy: -326.405
Base-Backbone interact. energy: -2.553
local terms energy: -359.673576
where:
bonds (distance) C4'-P energy: -83.696
bonds (distance) P-C4' energy: -78.866
flat angles C4'-P-C4' energy: -83.114
flat angles P-C4'-P energy: -46.709
tors. eta vs tors. theta energy: -67.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1024.368492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.368492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.368492 (E_RNA)
where:
Base-Base interactions energy: -684.136
where: short stacking energy: -292.666
Base-Backbone interact. energy: -1.175
local terms energy: -339.057519
where:
bonds (distance) C4'-P energy: -70.783
bonds (distance) P-C4' energy: -74.152
flat angles C4'-P-C4' energy: -80.643
flat angles P-C4'-P energy: -48.987
tors. eta vs tors. theta energy: -64.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -760.679498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.679498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.679498 (E_RNA)
where:
Base-Base interactions energy: -414.424
where: short stacking energy: -201.213
Base-Backbone interact. energy: -0.231
local terms energy: -346.024431
where:
bonds (distance) C4'-P energy: -90.759
bonds (distance) P-C4' energy: -101.806
flat angles C4'-P-C4' energy: -83.676
flat angles P-C4'-P energy: -53.074
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -582.254177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.254177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.254177 (E_RNA)
where:
Base-Base interactions energy: -298.802
where: short stacking energy: -182.017
Base-Backbone interact. energy: 1.469
local terms energy: -284.921060
where:
bonds (distance) C4'-P energy: -60.153
bonds (distance) P-C4' energy: -90.303
flat angles C4'-P-C4' energy: -74.860
flat angles P-C4'-P energy: -41.001
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1784.263710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.263710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.263710 (E_RNA)
where:
Base-Base interactions energy: -1214.388
where: short stacking energy: -531.309
Base-Backbone interact. energy: -1.492
local terms energy: -568.384397
where:
bonds (distance) C4'-P energy: -102.919
bonds (distance) P-C4' energy: -102.591
flat angles C4'-P-C4' energy: -117.587
flat angles P-C4'-P energy: -75.845
tors. eta vs tors. theta energy: -169.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1681.960500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.960500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.960500 (E_RNA)
where:
Base-Base interactions energy: -1144.304
where: short stacking energy: -466.345
Base-Backbone interact. energy: -2.253
local terms energy: -535.403304
where:
bonds (distance) C4'-P energy: -95.383
bonds (distance) P-C4' energy: -110.356
flat angles C4'-P-C4' energy: -116.690
flat angles P-C4'-P energy: -75.802
tors. eta vs tors. theta energy: -137.171
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: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1584.142568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.142568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.142568 (E_RNA)
where:
Base-Base interactions energy: -1059.818
where: short stacking energy: -461.872
Base-Backbone interact. energy: -3.363
local terms energy: -520.961611
where:
bonds (distance) C4'-P energy: -98.634
bonds (distance) P-C4' energy: -99.949
flat angles C4'-P-C4' energy: -113.058
flat angles P-C4'-P energy: -74.666
tors. eta vs tors. theta energy: -134.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1493.529847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.529847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.529847 (E_RNA)
where:
Base-Base interactions energy: -1032.251
where: short stacking energy: -435.210
Base-Backbone interact. energy: -3.086
local terms energy: -458.193124
where:
bonds (distance) C4'-P energy: -62.771
bonds (distance) P-C4' energy: -91.568
flat angles C4'-P-C4' energy: -111.228
flat angles P-C4'-P energy: -62.461
tors. eta vs tors. theta energy: -130.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1374.961446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.961446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.961446 (E_RNA)
where:
Base-Base interactions energy: -920.515
where: short stacking energy: -404.823
Base-Backbone interact. energy: -2.782
local terms energy: -451.957680
where:
bonds (distance) C4'-P energy: -92.693
bonds (distance) P-C4' energy: -89.605
flat angles C4'-P-C4' energy: -90.124
flat angles P-C4'-P energy: -69.032
tors. eta vs tors. theta energy: -110.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.293 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1296.399007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.399007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.399007 (E_RNA)
where:
Base-Base interactions energy: -864.015
where: short stacking energy: -398.254
Base-Backbone interact. energy: -0.161
local terms energy: -432.223728
where:
bonds (distance) C4'-P energy: -82.412
bonds (distance) P-C4' energy: -82.903
flat angles C4'-P-C4' energy: -98.356
flat angles P-C4'-P energy: -63.855
tors. eta vs tors. theta energy: -104.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1118.335808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.335808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.335808 (E_RNA)
where:
Base-Base interactions energy: -719.977
where: short stacking energy: -323.634
Base-Backbone interact. energy: -1.106
local terms energy: -397.252743
where:
bonds (distance) C4'-P energy: -80.251
bonds (distance) P-C4' energy: -92.588
flat angles C4'-P-C4' energy: -86.675
flat angles P-C4'-P energy: -53.516
tors. eta vs tors. theta energy: -84.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1025.812001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.812001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.812001 (E_RNA)
where:
Base-Base interactions energy: -679.660
where: short stacking energy: -274.034
Base-Backbone interact. energy: -0.692
local terms energy: -345.460236
where:
bonds (distance) C4'-P energy: -62.975
bonds (distance) P-C4' energy: -76.227
flat angles C4'-P-C4' energy: -89.450
flat angles P-C4'-P energy: -58.326
tors. eta vs tors. theta energy: -58.483
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: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -769.478044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.478044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.478044 (E_RNA)
where:
Base-Base interactions energy: -441.865
where: short stacking energy: -207.271
Base-Backbone interact. energy: -1.953
local terms energy: -325.659802
where:
bonds (distance) C4'-P energy: -76.010
bonds (distance) P-C4' energy: -83.850
flat angles C4'-P-C4' energy: -89.966
flat angles P-C4'-P energy: -54.730
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -566.692938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.692938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.692938 (E_RNA)
where:
Base-Base interactions energy: -269.266
where: short stacking energy: -134.685
Base-Backbone interact. energy: 0.301
local terms energy: -297.727119
where:
bonds (distance) C4'-P energy: -91.906
bonds (distance) P-C4' energy: -99.679
flat angles C4'-P-C4' energy: -77.246
flat angles P-C4'-P energy: -32.099
tors. eta vs tors. theta energy: 3.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1737.871062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.871062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.871062 (E_RNA)
where:
Base-Base interactions energy: -1172.435
where: short stacking energy: -507.222
Base-Backbone interact. energy: -1.217
local terms energy: -564.219640
where:
bonds (distance) C4'-P energy: -103.935
bonds (distance) P-C4' energy: -117.428
flat angles C4'-P-C4' energy: -117.551
flat angles P-C4'-P energy: -77.089
tors. eta vs tors. theta energy: -148.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1690.709484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.709484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.709484 (E_RNA)
where:
Base-Base interactions energy: -1161.178
where: short stacking energy: -471.746
Base-Backbone interact. energy: -0.438
local terms energy: -529.093681
where:
bonds (distance) C4'-P energy: -95.886
bonds (distance) P-C4' energy: -99.516
flat angles C4'-P-C4' energy: -118.143
flat angles P-C4'-P energy: -77.944
tors. eta vs tors. theta energy: -137.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1571.805111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.805111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.805111 (E_RNA)
where:
Base-Base interactions energy: -1061.587
where: short stacking energy: -456.342
Base-Backbone interact. energy: -0.450
local terms energy: -509.767905
where:
bonds (distance) C4'-P energy: -102.945
bonds (distance) P-C4' energy: -106.087
flat angles C4'-P-C4' energy: -97.335
flat angles P-C4'-P energy: -71.045
tors. eta vs tors. theta energy: -132.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1504.259698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.259698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.259698 (E_RNA)
where:
Base-Base interactions energy: -1027.965
where: short stacking energy: -456.542
Base-Backbone interact. energy: -1.886
local terms energy: -474.409588
where:
bonds (distance) C4'-P energy: -80.014
bonds (distance) P-C4' energy: -92.536
flat angles C4'-P-C4' energy: -104.052
flat angles P-C4'-P energy: -62.263
tors. eta vs tors. theta energy: -135.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1368.993987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.993987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.993987 (E_RNA)
where:
Base-Base interactions energy: -902.440
where: short stacking energy: -391.302
Base-Backbone interact. energy: -1.732
local terms energy: -464.821789
where:
bonds (distance) C4'-P energy: -94.385
bonds (distance) P-C4' energy: -95.719
flat angles C4'-P-C4' energy: -93.717
flat angles P-C4'-P energy: -61.185
tors. eta vs tors. theta energy: -119.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1302.398574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.398574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.398574 (E_RNA)
where:
Base-Base interactions energy: -874.492
where: short stacking energy: -393.553
Base-Backbone interact. energy: -0.475
local terms energy: -427.431469
where:
bonds (distance) C4'-P energy: -86.493
bonds (distance) P-C4' energy: -89.417
flat angles C4'-P-C4' energy: -98.274
flat angles P-C4'-P energy: -40.400
tors. eta vs tors. theta energy: -112.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1078.757349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.757349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.757349 (E_RNA)
where:
Base-Base interactions energy: -698.486
where: short stacking energy: -300.416
Base-Backbone interact. energy: -1.458
local terms energy: -378.813349
where:
bonds (distance) C4'-P energy: -79.668
bonds (distance) P-C4' energy: -78.912
flat angles C4'-P-C4' energy: -89.237
flat angles P-C4'-P energy: -62.969
tors. eta vs tors. theta energy: -68.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -927.129155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.129155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.129155 (E_RNA)
where:
Base-Base interactions energy: -583.625
where: short stacking energy: -258.575
Base-Backbone interact. energy: 5.504
local terms energy: -349.007985
where:
bonds (distance) C4'-P energy: -67.241
bonds (distance) P-C4' energy: -80.586
flat angles C4'-P-C4' energy: -82.751
flat angles P-C4'-P energy: -61.209
tors. eta vs tors. theta energy: -57.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -776.798360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.798360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.798360 (E_RNA)
where:
Base-Base interactions energy: -457.409
where: short stacking energy: -210.373
Base-Backbone interact. energy: -1.314
local terms energy: -318.074986
where:
bonds (distance) C4'-P energy: -82.000
bonds (distance) P-C4' energy: -88.277
flat angles C4'-P-C4' energy: -69.674
flat angles P-C4'-P energy: -49.356
tors. eta vs tors. theta energy: -28.768
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: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -604.166795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.166795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.166795 (E_RNA)
where:
Base-Base interactions energy: -307.176
where: short stacking energy: -190.177
Base-Backbone interact. energy: -1.295
local terms energy: -295.696274
where:
bonds (distance) C4'-P energy: -78.447
bonds (distance) P-C4' energy: -83.236
flat angles C4'-P-C4' energy: -78.820
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -27.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1771.292592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.292592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.292592 (E_RNA)
where:
Base-Base interactions energy: -1216.199
where: short stacking energy: -506.827
Base-Backbone interact. energy: -1.245
local terms energy: -553.848904
where:
bonds (distance) C4'-P energy: -111.237
bonds (distance) P-C4' energy: -99.516
flat angles C4'-P-C4' energy: -122.351
flat angles P-C4'-P energy: -67.981
tors. eta vs tors. theta energy: -152.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1683.986665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.986665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.986665 (E_RNA)
where:
Base-Base interactions energy: -1160.314
where: short stacking energy: -489.096
Base-Backbone interact. energy: -2.024
local terms energy: -521.648829
where:
bonds (distance) C4'-P energy: -96.228
bonds (distance) P-C4' energy: -101.913
flat angles C4'-P-C4' energy: -107.189
flat angles P-C4'-P energy: -73.236
tors. eta vs tors. theta energy: -143.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1558.956016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.956016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.956016 (E_RNA)
where:
Base-Base interactions energy: -1051.504
where: short stacking energy: -458.272
Base-Backbone interact. energy: -1.980
local terms energy: -505.471886
where:
bonds (distance) C4'-P energy: -95.309
bonds (distance) P-C4' energy: -101.325
flat angles C4'-P-C4' energy: -109.726
flat angles P-C4'-P energy: -73.494
tors. eta vs tors. theta energy: -125.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1509.656544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.656544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.656544 (E_RNA)
where:
Base-Base interactions energy: -1017.103
where: short stacking energy: -426.346
Base-Backbone interact. energy: -1.256
local terms energy: -491.297474
where:
bonds (distance) C4'-P energy: -86.355
bonds (distance) P-C4' energy: -92.619
flat angles C4'-P-C4' energy: -100.509
flat angles P-C4'-P energy: -80.226
tors. eta vs tors. theta energy: -131.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1380.741197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.741197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.741197 (E_RNA)
where:
Base-Base interactions energy: -930.844
where: short stacking energy: -427.567
Base-Backbone interact. energy: -2.614
local terms energy: -447.284089
where:
bonds (distance) C4'-P energy: -74.147
bonds (distance) P-C4' energy: -84.633
flat angles C4'-P-C4' energy: -100.217
flat angles P-C4'-P energy: -58.140
tors. eta vs tors. theta energy: -130.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1296.288196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.288196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.288196 (E_RNA)
where:
Base-Base interactions energy: -864.302
where: short stacking energy: -387.777
Base-Backbone interact. energy: -1.383
local terms energy: -430.602692
where:
bonds (distance) C4'-P energy: -84.627
bonds (distance) P-C4' energy: -82.887
flat angles C4'-P-C4' energy: -104.836
flat angles P-C4'-P energy: -50.909
tors. eta vs tors. theta energy: -107.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1100.391148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.391148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.391148 (E_RNA)
where:
Base-Base interactions energy: -719.618
where: short stacking energy: -316.350
Base-Backbone interact. energy: -1.676
local terms energy: -379.096973
where:
bonds (distance) C4'-P energy: -89.868
bonds (distance) P-C4' energy: -89.864
flat angles C4'-P-C4' energy: -72.842
flat angles P-C4'-P energy: -53.419
tors. eta vs tors. theta energy: -73.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -951.236104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.236104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.236104 (E_RNA)
where:
Base-Base interactions energy: -603.163
where: short stacking energy: -249.892
Base-Backbone interact. energy: 1.548
local terms energy: -349.620865
where:
bonds (distance) C4'-P energy: -80.335
bonds (distance) P-C4' energy: -80.367
flat angles C4'-P-C4' energy: -82.628
flat angles P-C4'-P energy: -57.287
tors. eta vs tors. theta energy: -49.004
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: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -775.933771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.933771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.933771 (E_RNA)
where:
Base-Base interactions energy: -452.185
where: short stacking energy: -243.992
Base-Backbone interact. energy: -1.805
local terms energy: -321.944663
where:
bonds (distance) C4'-P energy: -77.780
bonds (distance) P-C4' energy: -89.629
flat angles C4'-P-C4' energy: -81.628
flat angles P-C4'-P energy: -42.620
tors. eta vs tors. theta energy: -30.288
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: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -590.739155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.739155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.739155 (E_RNA)
where:
Base-Base interactions energy: -305.241
where: short stacking energy: -160.006
Base-Backbone interact. energy: 2.279
local terms energy: -287.777640
where:
bonds (distance) C4'-P energy: -89.650
bonds (distance) P-C4' energy: -87.287
flat angles C4'-P-C4' energy: -80.742
flat angles P-C4'-P energy: -39.539
tors. eta vs tors. theta energy: 9.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1767.130125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.130125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.130125 (E_RNA)
where:
Base-Base interactions energy: -1216.342
where: short stacking energy: -528.775
Base-Backbone interact. energy: -1.239
local terms energy: -549.549716
where:
bonds (distance) C4'-P energy: -92.826
bonds (distance) P-C4' energy: -107.619
flat angles C4'-P-C4' energy: -113.907
flat angles P-C4'-P energy: -80.011
tors. eta vs tors. theta energy: -155.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1666.524775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.524775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.524775 (E_RNA)
where:
Base-Base interactions energy: -1127.772
where: short stacking energy: -468.257
Base-Backbone interact. energy: -2.714
local terms energy: -536.039665
where:
bonds (distance) C4'-P energy: -99.670
bonds (distance) P-C4' energy: -93.295
flat angles C4'-P-C4' energy: -121.219
flat angles P-C4'-P energy: -80.859
tors. eta vs tors. theta energy: -140.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1581.096166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.096166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.096166 (E_RNA)
where:
Base-Base interactions energy: -1069.126
where: short stacking energy: -450.252
Base-Backbone interact. energy: -1.032
local terms energy: -510.939149
where:
bonds (distance) C4'-P energy: -104.422
bonds (distance) P-C4' energy: -102.090
flat angles C4'-P-C4' energy: -104.088
flat angles P-C4'-P energy: -65.396
tors. eta vs tors. theta energy: -134.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1511.347175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.347175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.347175 (E_RNA)
where:
Base-Base interactions energy: -1019.256
where: short stacking energy: -436.466
Base-Backbone interact. energy: -0.472
local terms energy: -491.619210
where:
bonds (distance) C4'-P energy: -106.771
bonds (distance) P-C4' energy: -94.187
flat angles C4'-P-C4' energy: -105.740
flat angles P-C4'-P energy: -58.986
tors. eta vs tors. theta energy: -125.936
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: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1362.853930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.853930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.853930 (E_RNA)
where:
Base-Base interactions energy: -892.581
where: short stacking energy: -382.596
Base-Backbone interact. energy: -2.167
local terms energy: -468.106464
where:
bonds (distance) C4'-P energy: -99.913
bonds (distance) P-C4' energy: -84.736
flat angles C4'-P-C4' energy: -103.634
flat angles P-C4'-P energy: -59.354
tors. eta vs tors. theta energy: -120.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1286.022243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.022243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.022243 (E_RNA)
where:
Base-Base interactions energy: -858.181
where: short stacking energy: -375.017
Base-Backbone interact. energy: -0.249
local terms energy: -427.592004
where:
bonds (distance) C4'-P energy: -79.720
bonds (distance) P-C4' energy: -86.025
flat angles C4'-P-C4' energy: -107.367
flat angles P-C4'-P energy: -49.683
tors. eta vs tors. theta energy: -104.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1083.867059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.867059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.867059 (E_RNA)
where:
Base-Base interactions energy: -671.197
where: short stacking energy: -310.432
Base-Backbone interact. energy: 3.835
local terms energy: -416.504504
where:
bonds (distance) C4'-P energy: -88.065
bonds (distance) P-C4' energy: -105.379
flat angles C4'-P-C4' energy: -96.402
flat angles P-C4'-P energy: -59.220
tors. eta vs tors. theta energy: -67.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1017.837335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.837335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.837335 (E_RNA)
where:
Base-Base interactions energy: -677.581
where: short stacking energy: -287.373
Base-Backbone interact. energy: -3.040
local terms energy: -337.216169
where:
bonds (distance) C4'-P energy: -78.501
bonds (distance) P-C4' energy: -85.135
flat angles C4'-P-C4' energy: -84.954
flat angles P-C4'-P energy: -38.992
tors. eta vs tors. theta energy: -49.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -779.931589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.931589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.931589 (E_RNA)
where:
Base-Base interactions energy: -474.719
where: short stacking energy: -223.170
Base-Backbone interact. energy: -1.947
local terms energy: -303.265865
where:
bonds (distance) C4'-P energy: -90.112
bonds (distance) P-C4' energy: -77.217
flat angles C4'-P-C4' energy: -68.272
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -552.545576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.545576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.545576 (E_RNA)
where:
Base-Base interactions energy: -277.956
where: short stacking energy: -166.942
Base-Backbone interact. energy: -1.231
local terms energy: -273.358800
where:
bonds (distance) C4'-P energy: -82.728
bonds (distance) P-C4' energy: -83.470
flat angles C4'-P-C4' energy: -63.041
flat angles P-C4'-P energy: -46.681
tors. eta vs tors. theta energy: 2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1787.827101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.827101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.827101 (E_RNA)
where:
Base-Base interactions energy: -1206.240
where: short stacking energy: -509.075
Base-Backbone interact. energy: -1.871
local terms energy: -579.715764
where:
bonds (distance) C4'-P energy: -96.433
bonds (distance) P-C4' energy: -120.141
flat angles C4'-P-C4' energy: -123.552
flat angles P-C4'-P energy: -76.803
tors. eta vs tors. theta energy: -162.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1646.024815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.024815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.024815 (E_RNA)
where:
Base-Base interactions energy: -1133.122
where: short stacking energy: -466.338
Base-Backbone interact. energy: 0.729
local terms energy: -513.632511
where:
bonds (distance) C4'-P energy: -102.002
bonds (distance) P-C4' energy: -97.796
flat angles C4'-P-C4' energy: -106.732
flat angles P-C4'-P energy: -73.786
tors. eta vs tors. theta energy: -133.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1603.998022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.998022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.998022 (E_RNA)
where:
Base-Base interactions energy: -1096.718
where: short stacking energy: -469.846
Base-Backbone interact. energy: -1.121
local terms energy: -506.158378
where:
bonds (distance) C4'-P energy: -96.554
bonds (distance) P-C4' energy: -92.227
flat angles C4'-P-C4' energy: -105.377
flat angles P-C4'-P energy: -74.912
tors. eta vs tors. theta energy: -137.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1521.408081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.408081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.408081 (E_RNA)
where:
Base-Base interactions energy: -1024.650
where: short stacking energy: -454.064
Base-Backbone interact. energy: 1.902
local terms energy: -500.103058
where:
bonds (distance) C4'-P energy: -100.274
bonds (distance) P-C4' energy: -102.864
flat angles C4'-P-C4' energy: -103.325
flat angles P-C4'-P energy: -67.069
tors. eta vs tors. theta energy: -126.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.443 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1412.785952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.785952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.785952 (E_RNA)
where:
Base-Base interactions energy: -936.095
where: short stacking energy: -386.991
Base-Backbone interact. energy: -1.718
local terms energy: -474.972831
where:
bonds (distance) C4'-P energy: -94.948
bonds (distance) P-C4' energy: -94.740
flat angles C4'-P-C4' energy: -98.214
flat angles P-C4'-P energy: -70.292
tors. eta vs tors. theta energy: -116.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1328.325798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.325798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.325798 (E_RNA)
where:
Base-Base interactions energy: -868.988
where: short stacking energy: -396.446
Base-Backbone interact. energy: -1.119
local terms energy: -458.218184
where:
bonds (distance) C4'-P energy: -95.875
bonds (distance) P-C4' energy: -92.644
flat angles C4'-P-C4' energy: -102.295
flat angles P-C4'-P energy: -59.883
tors. eta vs tors. theta energy: -107.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1083.500370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.500370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.500370 (E_RNA)
where:
Base-Base interactions energy: -703.839
where: short stacking energy: -305.849
Base-Backbone interact. energy: -0.727
local terms energy: -378.934557
where:
bonds (distance) C4'-P energy: -82.594
bonds (distance) P-C4' energy: -98.108
flat angles C4'-P-C4' energy: -84.774
flat angles P-C4'-P energy: -54.222
tors. eta vs tors. theta energy: -59.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -989.897324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.897324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.897324 (E_RNA)
where:
Base-Base interactions energy: -646.213
where: short stacking energy: -282.390
Base-Backbone interact. energy: -1.694
local terms energy: -341.989516
where:
bonds (distance) C4'-P energy: -72.952
bonds (distance) P-C4' energy: -77.736
flat angles C4'-P-C4' energy: -88.222
flat angles P-C4'-P energy: -57.571
tors. eta vs tors. theta energy: -45.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -821.533789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.533789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.533789 (E_RNA)
where:
Base-Base interactions energy: -474.449
where: short stacking energy: -240.882
Base-Backbone interact. energy: -1.292
local terms energy: -345.793254
where:
bonds (distance) C4'-P energy: -84.030
bonds (distance) P-C4' energy: -77.905
flat angles C4'-P-C4' energy: -70.060
flat angles P-C4'-P energy: -59.285
tors. eta vs tors. theta energy: -54.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -622.126007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.126007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.126007 (E_RNA)
where:
Base-Base interactions energy: -353.411
where: short stacking energy: -187.811
Base-Backbone interact. energy: -1.407
local terms energy: -267.308019
where:
bonds (distance) C4'-P energy: -75.110
bonds (distance) P-C4' energy: -77.849
flat angles C4'-P-C4' energy: -60.314
flat angles P-C4'-P energy: -35.620
tors. eta vs tors. theta energy: -18.415
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: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1802.000700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.000700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.000700 (E_RNA)
where:
Base-Base interactions energy: -1218.018
where: short stacking energy: -520.780
Base-Backbone interact. energy: -1.964
local terms energy: -582.019134
where:
bonds (distance) C4'-P energy: -109.542
bonds (distance) P-C4' energy: -110.182
flat angles C4'-P-C4' energy: -126.372
flat angles P-C4'-P energy: -79.507
tors. eta vs tors. theta energy: -156.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1620.467655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.467655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.467655 (E_RNA)
where:
Base-Base interactions energy: -1097.017
where: short stacking energy: -477.361
Base-Backbone interact. energy: -1.432
local terms energy: -522.018709
where:
bonds (distance) C4'-P energy: -93.773
bonds (distance) P-C4' energy: -110.707
flat angles C4'-P-C4' energy: -108.433
flat angles P-C4'-P energy: -75.988
tors. eta vs tors. theta energy: -133.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1576.170571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.170571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.170571 (E_RNA)
where:
Base-Base interactions energy: -1057.073
where: short stacking energy: -467.635
Base-Backbone interact. energy: -0.757
local terms energy: -518.341428
where:
bonds (distance) C4'-P energy: -82.135
bonds (distance) P-C4' energy: -100.105
flat angles C4'-P-C4' energy: -116.742
flat angles P-C4'-P energy: -74.893
tors. eta vs tors. theta energy: -144.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1522.535667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.535667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.535667 (E_RNA)
where:
Base-Base interactions energy: -1017.724
where: short stacking energy: -448.035
Base-Backbone interact. energy: -2.867
local terms energy: -501.945288
where:
bonds (distance) C4'-P energy: -93.803
bonds (distance) P-C4' energy: -90.405
flat angles C4'-P-C4' energy: -110.591
flat angles P-C4'-P energy: -73.419
tors. eta vs tors. theta energy: -133.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1435.860467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.860467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.860467 (E_RNA)
where:
Base-Base interactions energy: -976.891
where: short stacking energy: -404.936
Base-Backbone interact. energy: 1.216
local terms energy: -460.185132
where:
bonds (distance) C4'-P energy: -100.253
bonds (distance) P-C4' energy: -97.017
flat angles C4'-P-C4' energy: -105.239
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -121.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1280.673122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.673122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.673122 (E_RNA)
where:
Base-Base interactions energy: -838.134
where: short stacking energy: -377.309
Base-Backbone interact. energy: 1.201
local terms energy: -443.739855
where:
bonds (distance) C4'-P energy: -91.754
bonds (distance) P-C4' energy: -94.934
flat angles C4'-P-C4' energy: -106.237
flat angles P-C4'-P energy: -59.094
tors. eta vs tors. theta energy: -91.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1095.645163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.645163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.645163 (E_RNA)
where:
Base-Base interactions energy: -688.285
where: short stacking energy: -278.202
Base-Backbone interact. energy: 0.507
local terms energy: -407.867235
where:
bonds (distance) C4'-P energy: -96.369
bonds (distance) P-C4' energy: -100.338
flat angles C4'-P-C4' energy: -97.324
flat angles P-C4'-P energy: -56.905
tors. eta vs tors. theta energy: -56.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1026.807189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.807189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.807189 (E_RNA)
where:
Base-Base interactions energy: -652.529
where: short stacking energy: -284.344
Base-Backbone interact. energy: 4.654
local terms energy: -378.932613
where:
bonds (distance) C4'-P energy: -80.454
bonds (distance) P-C4' energy: -85.302
flat angles C4'-P-C4' energy: -90.021
flat angles P-C4'-P energy: -49.018
tors. eta vs tors. theta energy: -74.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -804.218752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.218752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.218752 (E_RNA)
where:
Base-Base interactions energy: -462.583
where: short stacking energy: -229.127
Base-Backbone interact. energy: -0.124
local terms energy: -341.512047
where:
bonds (distance) C4'-P energy: -97.561
bonds (distance) P-C4' energy: -81.095
flat angles C4'-P-C4' energy: -69.154
flat angles P-C4'-P energy: -53.298
tors. eta vs tors. theta energy: -40.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -594.717756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.717756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.717756 (E_RNA)
where:
Base-Base interactions energy: -327.281
where: short stacking energy: -182.457
Base-Backbone interact. energy: 6.545
local terms energy: -273.982647
where:
bonds (distance) C4'-P energy: -77.554
bonds (distance) P-C4' energy: -82.485
flat angles C4'-P-C4' energy: -78.284
flat angles P-C4'-P energy: -37.070
tors. eta vs tors. theta energy: 1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1785.144197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.144197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.144197 (E_RNA)
where:
Base-Base interactions energy: -1216.617
where: short stacking energy: -536.690
Base-Backbone interact. energy: -2.944
local terms energy: -565.582871
where:
bonds (distance) C4'-P energy: -106.308
bonds (distance) P-C4' energy: -113.200
flat angles C4'-P-C4' energy: -115.854
flat angles P-C4'-P energy: -73.741
tors. eta vs tors. theta energy: -156.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1651.148895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.148895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.148895 (E_RNA)
where:
Base-Base interactions energy: -1123.836
where: short stacking energy: -470.638
Base-Backbone interact. energy: -2.910
local terms energy: -524.403413
where:
bonds (distance) C4'-P energy: -98.069
bonds (distance) P-C4' energy: -95.557
flat angles C4'-P-C4' energy: -114.269
flat angles P-C4'-P energy: -73.868
tors. eta vs tors. theta energy: -142.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1596.529429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.529429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.529429 (E_RNA)
where:
Base-Base interactions energy: -1099.400
where: short stacking energy: -474.955
Base-Backbone interact. energy: -3.566
local terms energy: -493.563292
where:
bonds (distance) C4'-P energy: -88.591
bonds (distance) P-C4' energy: -85.614
flat angles C4'-P-C4' energy: -106.812
flat angles P-C4'-P energy: -71.054
tors. eta vs tors. theta energy: -141.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1516.668579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.668579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.668579 (E_RNA)
where:
Base-Base interactions energy: -1032.894
where: short stacking energy: -453.721
Base-Backbone interact. energy: -0.045
local terms energy: -483.729565
where:
bonds (distance) C4'-P energy: -84.018
bonds (distance) P-C4' energy: -89.484
flat angles C4'-P-C4' energy: -109.415
flat angles P-C4'-P energy: -66.605
tors. eta vs tors. theta energy: -134.207
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1470.110407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.110407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.110407 (E_RNA)
where:
Base-Base interactions energy: -1005.757
where: short stacking energy: -415.862
Base-Backbone interact. energy: -1.132
local terms energy: -463.221677
where:
bonds (distance) C4'-P energy: -82.527
bonds (distance) P-C4' energy: -95.947
flat angles C4'-P-C4' energy: -103.251
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: -127.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1265.470365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.470365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.470365 (E_RNA)
where:
Base-Base interactions energy: -831.211
where: short stacking energy: -372.564
Base-Backbone interact. energy: -0.895
local terms energy: -433.363798
where:
bonds (distance) C4'-P energy: -75.536
bonds (distance) P-C4' energy: -91.183
flat angles C4'-P-C4' energy: -104.582
flat angles P-C4'-P energy: -65.707
tors. eta vs tors. theta energy: -96.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1109.407162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.407162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.407162 (E_RNA)
where:
Base-Base interactions energy: -701.790
where: short stacking energy: -282.165
Base-Backbone interact. energy: -0.800
local terms energy: -406.817126
where:
bonds (distance) C4'-P energy: -83.715
bonds (distance) P-C4' energy: -90.692
flat angles C4'-P-C4' energy: -88.069
flat angles P-C4'-P energy: -72.942
tors. eta vs tors. theta energy: -71.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1011.575982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.575982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.575982 (E_RNA)
where:
Base-Base interactions energy: -660.752
where: short stacking energy: -296.962
Base-Backbone interact. energy: 5.047
local terms energy: -355.870984
where:
bonds (distance) C4'-P energy: -80.831
bonds (distance) P-C4' energy: -93.099
flat angles C4'-P-C4' energy: -83.217
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -52.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -832.639505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.639505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.639505 (E_RNA)
where:
Base-Base interactions energy: -495.970
where: short stacking energy: -242.688
Base-Backbone interact. energy: 0.967
local terms energy: -337.636751
where:
bonds (distance) C4'-P energy: -70.593
bonds (distance) P-C4' energy: -87.323
flat angles C4'-P-C4' energy: -80.950
flat angles P-C4'-P energy: -58.158
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: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -586.472851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.472851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.472851 (E_RNA)
where:
Base-Base interactions energy: -282.250
where: short stacking energy: -166.529
Base-Backbone interact. energy: 0.786
local terms energy: -305.009648
where:
bonds (distance) C4'-P energy: -102.782
bonds (distance) P-C4' energy: -77.974
flat angles C4'-P-C4' energy: -71.805
flat angles P-C4'-P energy: -43.563
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1774.092850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.092850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.092850 (E_RNA)
where:
Base-Base interactions energy: -1224.652
where: short stacking energy: -531.152
Base-Backbone interact. energy: -0.002
local terms energy: -549.439059
where:
bonds (distance) C4'-P energy: -103.411
bonds (distance) P-C4' energy: -95.856
flat angles C4'-P-C4' energy: -112.105
flat angles P-C4'-P energy: -80.497
tors. eta vs tors. theta energy: -157.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1647.005058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.005058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.005058 (E_RNA)
where:
Base-Base interactions energy: -1122.772
where: short stacking energy: -475.588
Base-Backbone interact. energy: -0.446
local terms energy: -523.786863
where:
bonds (distance) C4'-P energy: -94.759
bonds (distance) P-C4' energy: -108.167
flat angles C4'-P-C4' energy: -117.241
flat angles P-C4'-P energy: -70.207
tors. eta vs tors. theta energy: -133.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1603.210281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.210281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.210281 (E_RNA)
where:
Base-Base interactions energy: -1089.907
where: short stacking energy: -438.668
Base-Backbone interact. energy: 0.114
local terms energy: -513.417918
where:
bonds (distance) C4'-P energy: -94.751
bonds (distance) P-C4' energy: -98.228
flat angles C4'-P-C4' energy: -114.967
flat angles P-C4'-P energy: -78.398
tors. eta vs tors. theta energy: -127.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1460.045858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.045858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.045858 (E_RNA)
where:
Base-Base interactions energy: -973.575
where: short stacking energy: -432.230
Base-Backbone interact. energy: -2.212
local terms energy: -484.259501
where:
bonds (distance) C4'-P energy: -105.012
bonds (distance) P-C4' energy: -96.255
flat angles C4'-P-C4' energy: -98.724
flat angles P-C4'-P energy: -59.134
tors. eta vs tors. theta energy: -125.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1487.939041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.939041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.939041 (E_RNA)
where:
Base-Base interactions energy: -1029.719
where: short stacking energy: -452.080
Base-Backbone interact. energy: -1.181
local terms energy: -457.039619
where:
bonds (distance) C4'-P energy: -80.857
bonds (distance) P-C4' energy: -85.081
flat angles C4'-P-C4' energy: -99.263
flat angles P-C4'-P energy: -56.792
tors. eta vs tors. theta energy: -135.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1291.943213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.943213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.943213 (E_RNA)
where:
Base-Base interactions energy: -862.042
where: short stacking energy: -398.910
Base-Backbone interact. energy: -0.761
local terms energy: -429.140006
where:
bonds (distance) C4'-P energy: -83.006
bonds (distance) P-C4' energy: -77.863
flat angles C4'-P-C4' energy: -96.239
flat angles P-C4'-P energy: -57.238
tors. eta vs tors. theta energy: -114.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1056.235992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.235992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.235992 (E_RNA)
where:
Base-Base interactions energy: -669.608
where: short stacking energy: -294.795
Base-Backbone interact. energy: -1.397
local terms energy: -385.231113
where:
bonds (distance) C4'-P energy: -94.468
bonds (distance) P-C4' energy: -103.032
flat angles C4'-P-C4' energy: -86.354
flat angles P-C4'-P energy: -45.263
tors. eta vs tors. theta energy: -56.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1032.494336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.494336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.494336 (E_RNA)
where:
Base-Base interactions energy: -653.307
where: short stacking energy: -287.262
Base-Backbone interact. energy: 0.687
local terms energy: -379.874760
where:
bonds (distance) C4'-P energy: -75.629
bonds (distance) P-C4' energy: -82.737
flat angles C4'-P-C4' energy: -95.638
flat angles P-C4'-P energy: -67.329
tors. eta vs tors. theta energy: -58.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -767.874525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.874525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.874525 (E_RNA)
where:
Base-Base interactions energy: -445.001
where: short stacking energy: -225.331
Base-Backbone interact. energy: -0.502
local terms energy: -322.372100
where:
bonds (distance) C4'-P energy: -92.448
bonds (distance) P-C4' energy: -90.049
flat angles C4'-P-C4' energy: -79.899
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -26.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -599.966598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.966598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.966598 (E_RNA)
where:
Base-Base interactions energy: -310.992
where: short stacking energy: -181.985
Base-Backbone interact. energy: 1.288
local terms energy: -290.263166
where:
bonds (distance) C4'-P energy: -74.170
bonds (distance) P-C4' energy: -83.570
flat angles C4'-P-C4' energy: -71.682
flat angles P-C4'-P energy: -41.657
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1777.743737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.743737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.743737 (E_RNA)
where:
Base-Base interactions energy: -1226.333
where: short stacking energy: -526.521
Base-Backbone interact. energy: -3.205
local terms energy: -548.205791
where:
bonds (distance) C4'-P energy: -90.389
bonds (distance) P-C4' energy: -109.152
flat angles C4'-P-C4' energy: -118.693
flat angles P-C4'-P energy: -76.470
tors. eta vs tors. theta energy: -153.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1673.983619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.983619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.983619 (E_RNA)
where:
Base-Base interactions energy: -1152.280
where: short stacking energy: -471.579
Base-Backbone interact. energy: 2.152
local terms energy: -523.855889
where:
bonds (distance) C4'-P energy: -108.749
bonds (distance) P-C4' energy: -99.680
flat angles C4'-P-C4' energy: -114.596
flat angles P-C4'-P energy: -62.408
tors. eta vs tors. theta energy: -138.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1626.904637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.904637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.904637 (E_RNA)
where:
Base-Base interactions energy: -1115.706
where: short stacking energy: -476.990
Base-Backbone interact. energy: -0.686
local terms energy: -510.512160
where:
bonds (distance) C4'-P energy: -84.576
bonds (distance) P-C4' energy: -103.417
flat angles C4'-P-C4' energy: -106.715
flat angles P-C4'-P energy: -71.908
tors. eta vs tors. theta energy: -143.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1480.922260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.922260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.922260 (E_RNA)
where:
Base-Base interactions energy: -980.579
where: short stacking energy: -420.641
Base-Backbone interact. energy: -2.781
local terms energy: -497.562718
where:
bonds (distance) C4'-P energy: -97.943
bonds (distance) P-C4' energy: -106.643
flat angles C4'-P-C4' energy: -110.065
flat angles P-C4'-P energy: -64.705
tors. eta vs tors. theta energy: -118.207
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: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1471.980680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.980680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.980680 (E_RNA)
where:
Base-Base interactions energy: -971.398
where: short stacking energy: -414.307
Base-Backbone interact. energy: -0.312
local terms energy: -500.270438
where:
bonds (distance) C4'-P energy: -95.992
bonds (distance) P-C4' energy: -106.456
flat angles C4'-P-C4' energy: -111.885
flat angles P-C4'-P energy: -71.890
tors. eta vs tors. theta energy: -114.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1274.801173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.801173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.801173 (E_RNA)
where:
Base-Base interactions energy: -857.093
where: short stacking energy: -389.038
Base-Backbone interact. energy: -1.499
local terms energy: -416.209243
where:
bonds (distance) C4'-P energy: -74.909
bonds (distance) P-C4' energy: -73.964
flat angles C4'-P-C4' energy: -102.713
flat angles P-C4'-P energy: -73.790
tors. eta vs tors. theta energy: -90.834
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: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1028.472077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.472077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.472077 (E_RNA)
where:
Base-Base interactions energy: -666.589
where: short stacking energy: -300.260
Base-Backbone interact. energy: -1.225
local terms energy: -360.658260
where:
bonds (distance) C4'-P energy: -83.104
bonds (distance) P-C4' energy: -80.460
flat angles C4'-P-C4' energy: -88.750
flat angles P-C4'-P energy: -50.679
tors. eta vs tors. theta energy: -57.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1062.793073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.793073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.793073 (E_RNA)
where:
Base-Base interactions energy: -698.949
where: short stacking energy: -317.074
Base-Backbone interact. energy: -1.639
local terms energy: -362.204866
where:
bonds (distance) C4'-P energy: -80.832
bonds (distance) P-C4' energy: -87.918
flat angles C4'-P-C4' energy: -79.929
flat angles P-C4'-P energy: -45.030
tors. eta vs tors. theta energy: -68.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -771.614654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.614654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.614654 (E_RNA)
where:
Base-Base interactions energy: -451.477
where: short stacking energy: -232.700
Base-Backbone interact. energy: 2.349
local terms energy: -322.486799
where:
bonds (distance) C4'-P energy: -88.881
bonds (distance) P-C4' energy: -84.144
flat angles C4'-P-C4' energy: -88.730
flat angles P-C4'-P energy: -36.215
tors. eta vs tors. theta energy: -24.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -554.052319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.052319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.052319 (E_RNA)
where:
Base-Base interactions energy: -261.435
where: short stacking energy: -147.101
Base-Backbone interact. energy: 1.742
local terms energy: -294.359131
where:
bonds (distance) C4'-P energy: -78.316
bonds (distance) P-C4' energy: -86.380
flat angles C4'-P-C4' energy: -87.235
flat angles P-C4'-P energy: -43.292
tors. eta vs tors. theta energy: 0.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1761.002193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.002193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.002193 (E_RNA)
where:
Base-Base interactions energy: -1201.111
where: short stacking energy: -517.222
Base-Backbone interact. energy: -1.606
local terms energy: -558.284911
where:
bonds (distance) C4'-P energy: -99.793
bonds (distance) P-C4' energy: -107.793
flat angles C4'-P-C4' energy: -106.998
flat angles P-C4'-P energy: -89.181
tors. eta vs tors. theta energy: -154.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1659.665738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.665738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.665738 (E_RNA)
where:
Base-Base interactions energy: -1140.589
where: short stacking energy: -481.129
Base-Backbone interact. energy: -2.252
local terms energy: -516.825058
where:
bonds (distance) C4'-P energy: -85.737
bonds (distance) P-C4' energy: -97.319
flat angles C4'-P-C4' energy: -108.681
flat angles P-C4'-P energy: -73.337
tors. eta vs tors. theta energy: -151.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1586.564340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.564340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.564340 (E_RNA)
where:
Base-Base interactions energy: -1084.742
where: short stacking energy: -456.485
Base-Backbone interact. energy: -1.610
local terms energy: -500.212517
where:
bonds (distance) C4'-P energy: -86.145
bonds (distance) P-C4' energy: -107.404
flat angles C4'-P-C4' energy: -103.753
flat angles P-C4'-P energy: -67.601
tors. eta vs tors. theta energy: -135.309
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: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1523.350855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.350855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.350855 (E_RNA)
where:
Base-Base interactions energy: -1021.861
where: short stacking energy: -443.281
Base-Backbone interact. energy: -2.310
local terms energy: -499.179001
where:
bonds (distance) C4'-P energy: -81.857
bonds (distance) P-C4' energy: -103.258
flat angles C4'-P-C4' energy: -104.005
flat angles P-C4'-P energy: -73.874
tors. eta vs tors. theta energy: -136.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1441.058163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.058163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.058163 (E_RNA)
where:
Base-Base interactions energy: -970.575
where: short stacking energy: -408.423
Base-Backbone interact. energy: -0.283
local terms energy: -470.199645
where:
bonds (distance) C4'-P energy: -89.075
bonds (distance) P-C4' energy: -91.313
flat angles C4'-P-C4' energy: -109.877
flat angles P-C4'-P energy: -70.772
tors. eta vs tors. theta energy: -109.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1295.876746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.876746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.876746 (E_RNA)
where:
Base-Base interactions energy: -841.911
where: short stacking energy: -384.481
Base-Backbone interact. energy: -0.573
local terms energy: -453.392791
where:
bonds (distance) C4'-P energy: -88.223
bonds (distance) P-C4' energy: -100.937
flat angles C4'-P-C4' energy: -100.166
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -103.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1021.139368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.139368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.139368 (E_RNA)
where:
Base-Base interactions energy: -645.284
where: short stacking energy: -310.627
Base-Backbone interact. energy: -3.137
local terms energy: -372.718524
where:
bonds (distance) C4'-P energy: -86.517
bonds (distance) P-C4' energy: -83.752
flat angles C4'-P-C4' energy: -82.168
flat angles P-C4'-P energy: -57.748
tors. eta vs tors. theta energy: -62.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1029.605697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.605697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.605697 (E_RNA)
where:
Base-Base interactions energy: -664.348
where: short stacking energy: -296.439
Base-Backbone interact. energy: 0.678
local terms energy: -365.936083
where:
bonds (distance) C4'-P energy: -74.906
bonds (distance) P-C4' energy: -89.865
flat angles C4'-P-C4' energy: -98.895
flat angles P-C4'-P energy: -44.951
tors. eta vs tors. theta energy: -57.320
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: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -810.299091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.299091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.299091 (E_RNA)
where:
Base-Base interactions energy: -488.121
where: short stacking energy: -213.109
Base-Backbone interact. energy: 6.476
local terms energy: -328.653978
where:
bonds (distance) C4'-P energy: -87.358
bonds (distance) P-C4' energy: -88.249
flat angles C4'-P-C4' energy: -93.638
flat angles P-C4'-P energy: -35.820
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -567.992448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.992448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.992448 (E_RNA)
where:
Base-Base interactions energy: -288.116
where: short stacking energy: -150.372
Base-Backbone interact. energy: -2.670
local terms energy: -277.206854
where:
bonds (distance) C4'-P energy: -74.452
bonds (distance) P-C4' energy: -74.478
flat angles C4'-P-C4' energy: -82.318
flat angles P-C4'-P energy: -45.944
tors. eta vs tors. theta energy: -0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1773.455365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.455365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.455365 (E_RNA)
where:
Base-Base interactions energy: -1214.151
where: short stacking energy: -530.596
Base-Backbone interact. energy: -1.140
local terms energy: -558.165173
where:
bonds (distance) C4'-P energy: -103.555
bonds (distance) P-C4' energy: -106.635
flat angles C4'-P-C4' energy: -121.357
flat angles P-C4'-P energy: -72.059
tors. eta vs tors. theta energy: -154.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1667.251986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.251986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.251986 (E_RNA)
where:
Base-Base interactions energy: -1141.621
where: short stacking energy: -501.419
Base-Backbone interact. energy: 2.428
local terms energy: -528.059149
where:
bonds (distance) C4'-P energy: -85.233
bonds (distance) P-C4' energy: -108.629
flat angles C4'-P-C4' energy: -112.616
flat angles P-C4'-P energy: -78.162
tors. eta vs tors. theta energy: -143.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1618.763238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.763238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.763238 (E_RNA)
where:
Base-Base interactions energy: -1101.416
where: short stacking energy: -475.163
Base-Backbone interact. energy: 0.950
local terms energy: -518.297474
where:
bonds (distance) C4'-P energy: -100.609
bonds (distance) P-C4' energy: -94.234
flat angles C4'-P-C4' energy: -112.395
flat angles P-C4'-P energy: -72.256
tors. eta vs tors. theta energy: -138.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1539.829441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.829441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.829441 (E_RNA)
where:
Base-Base interactions energy: -1026.876
where: short stacking energy: -462.574
Base-Backbone interact. energy: -1.140
local terms energy: -511.813505
where:
bonds (distance) C4'-P energy: -82.651
bonds (distance) P-C4' energy: -96.949
flat angles C4'-P-C4' energy: -108.218
flat angles P-C4'-P energy: -77.781
tors. eta vs tors. theta energy: -146.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1411.141565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.141565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.141565 (E_RNA)
where:
Base-Base interactions energy: -958.112
where: short stacking energy: -402.069
Base-Backbone interact. energy: -2.403
local terms energy: -450.625867
where:
bonds (distance) C4'-P energy: -83.814
bonds (distance) P-C4' energy: -90.586
flat angles C4'-P-C4' energy: -101.239
flat angles P-C4'-P energy: -66.406
tors. eta vs tors. theta energy: -108.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1242.083687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.083687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.083687 (E_RNA)
where:
Base-Base interactions energy: -813.634
where: short stacking energy: -367.719
Base-Backbone interact. energy: 1.262
local terms energy: -429.711691
where:
bonds (distance) C4'-P energy: -86.101
bonds (distance) P-C4' energy: -90.128
flat angles C4'-P-C4' energy: -99.225
flat angles P-C4'-P energy: -61.426
tors. eta vs tors. theta energy: -92.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1073.691672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.691672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.691672 (E_RNA)
where:
Base-Base interactions energy: -656.622
where: short stacking energy: -296.163
Base-Backbone interact. energy: -0.064
local terms energy: -417.004807
where:
bonds (distance) C4'-P energy: -97.675
bonds (distance) P-C4' energy: -89.822
flat angles C4'-P-C4' energy: -93.036
flat angles P-C4'-P energy: -62.072
tors. eta vs tors. theta energy: -74.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -974.247432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.247432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.247432 (E_RNA)
where:
Base-Base interactions energy: -608.849
where: short stacking energy: -290.491
Base-Backbone interact. energy: 2.029
local terms energy: -367.427616
where:
bonds (distance) C4'-P energy: -70.209
bonds (distance) P-C4' energy: -97.311
flat angles C4'-P-C4' energy: -93.893
flat angles P-C4'-P energy: -52.607
tors. eta vs tors. theta energy: -53.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -760.683596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.683596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.683596 (E_RNA)
where:
Base-Base interactions energy: -465.778
where: short stacking energy: -224.405
Base-Backbone interact. energy: 0.090
local terms energy: -294.995712
where:
bonds (distance) C4'-P energy: -74.063
bonds (distance) P-C4' energy: -80.199
flat angles C4'-P-C4' energy: -70.596
flat angles P-C4'-P energy: -49.084
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -581.546866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.546866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.546866 (E_RNA)
where:
Base-Base interactions energy: -322.328
where: short stacking energy: -192.116
Base-Backbone interact. energy: -1.678
local terms energy: -257.540999
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -79.341
flat angles C4'-P-C4' energy: -71.967
flat angles P-C4'-P energy: -43.363
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1765.290854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.290854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.290854 (E_RNA)
where:
Base-Base interactions energy: -1222.352
where: short stacking energy: -507.743
Base-Backbone interact. energy: -0.872
local terms energy: -542.067498
where:
bonds (distance) C4'-P energy: -97.765
bonds (distance) P-C4' energy: -96.862
flat angles C4'-P-C4' energy: -111.367
flat angles P-C4'-P energy: -80.779
tors. eta vs tors. theta energy: -155.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1673.254901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.254901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.254901 (E_RNA)
where:
Base-Base interactions energy: -1140.379
where: short stacking energy: -472.749
Base-Backbone interact. energy: -3.537
local terms energy: -529.339850
where:
bonds (distance) C4'-P energy: -98.136
bonds (distance) P-C4' energy: -108.362
flat angles C4'-P-C4' energy: -114.900
flat angles P-C4'-P energy: -72.757
tors. eta vs tors. theta energy: -135.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1608.596201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.596201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.596201 (E_RNA)
where:
Base-Base interactions energy: -1101.871
where: short stacking energy: -474.882
Base-Backbone interact. energy: 0.357
local terms energy: -507.082169
where:
bonds (distance) C4'-P energy: -96.955
bonds (distance) P-C4' energy: -98.483
flat angles C4'-P-C4' energy: -108.027
flat angles P-C4'-P energy: -68.753
tors. eta vs tors. theta energy: -134.866
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: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1514.099164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.099164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.099164 (E_RNA)
where:
Base-Base interactions energy: -1007.912
where: short stacking energy: -441.953
Base-Backbone interact. energy: -2.661
local terms energy: -503.525819
where:
bonds (distance) C4'-P energy: -102.613
bonds (distance) P-C4' energy: -105.436
flat angles C4'-P-C4' energy: -88.225
flat angles P-C4'-P energy: -75.464
tors. eta vs tors. theta energy: -131.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1351.132762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.132762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.132762 (E_RNA)
where:
Base-Base interactions energy: -911.698
where: short stacking energy: -384.238
Base-Backbone interact. energy: -1.323
local terms energy: -438.809132
where:
bonds (distance) C4'-P energy: -91.864
bonds (distance) P-C4' energy: -69.391
flat angles C4'-P-C4' energy: -101.038
flat angles P-C4'-P energy: -60.075
tors. eta vs tors. theta energy: -116.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.697 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1322.124106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.124106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.124106 (E_RNA)
where:
Base-Base interactions energy: -839.242
where: short stacking energy: -372.141
Base-Backbone interact. energy: -1.785
local terms energy: -481.097299
where:
bonds (distance) C4'-P energy: -80.531
bonds (distance) P-C4' energy: -92.775
flat angles C4'-P-C4' energy: -116.508
flat angles P-C4'-P energy: -79.126
tors. eta vs tors. theta energy: -112.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1070.917224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.917224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.917224 (E_RNA)
where:
Base-Base interactions energy: -670.468
where: short stacking energy: -299.128
Base-Backbone interact. energy: 2.590
local terms energy: -403.039402
where:
bonds (distance) C4'-P energy: -92.887
bonds (distance) P-C4' energy: -92.142
flat angles C4'-P-C4' energy: -97.860
flat angles P-C4'-P energy: -49.191
tors. eta vs tors. theta energy: -70.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1042.006241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.006241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.006241 (E_RNA)
where:
Base-Base interactions energy: -687.744
where: short stacking energy: -291.533
Base-Backbone interact. energy: 4.514
local terms energy: -358.776608
where:
bonds (distance) C4'-P energy: -64.528
bonds (distance) P-C4' energy: -91.540
flat angles C4'-P-C4' energy: -88.898
flat angles P-C4'-P energy: -60.465
tors. eta vs tors. theta energy: -53.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -761.197254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.197254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.197254 (E_RNA)
where:
Base-Base interactions energy: -439.323
where: short stacking energy: -222.453
Base-Backbone interact. energy: 1.516
local terms energy: -323.390725
where:
bonds (distance) C4'-P energy: -70.547
bonds (distance) P-C4' energy: -99.641
flat angles C4'-P-C4' energy: -77.720
flat angles P-C4'-P energy: -48.075
tors. eta vs tors. theta energy: -27.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -588.544916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.544916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.544916 (E_RNA)
where:
Base-Base interactions energy: -276.714
where: short stacking energy: -146.385
Base-Backbone interact. energy: -1.076
local terms energy: -310.754487
where:
bonds (distance) C4'-P energy: -81.809
bonds (distance) P-C4' energy: -88.533
flat angles C4'-P-C4' energy: -85.608
flat angles P-C4'-P energy: -48.641
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1754.877245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.877245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.877245 (E_RNA)
where:
Base-Base interactions energy: -1200.586
where: short stacking energy: -523.631
Base-Backbone interact. energy: -0.762
local terms energy: -553.529224
where:
bonds (distance) C4'-P energy: -102.982
bonds (distance) P-C4' energy: -112.770
flat angles C4'-P-C4' energy: -117.150
flat angles P-C4'-P energy: -64.915
tors. eta vs tors. theta energy: -155.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1672.799251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.799251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.799251 (E_RNA)
where:
Base-Base interactions energy: -1152.593
where: short stacking energy: -486.173
Base-Backbone interact. energy: -3.629
local terms energy: -516.577576
where:
bonds (distance) C4'-P energy: -91.026
bonds (distance) P-C4' energy: -101.829
flat angles C4'-P-C4' energy: -115.181
flat angles P-C4'-P energy: -65.568
tors. eta vs tors. theta energy: -142.973
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: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1623.413049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.413049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.413049 (E_RNA)
where:
Base-Base interactions energy: -1071.266
where: short stacking energy: -472.506
Base-Backbone interact. energy: -2.018
local terms energy: -550.129770
where:
bonds (distance) C4'-P energy: -97.484
bonds (distance) P-C4' energy: -110.543
flat angles C4'-P-C4' energy: -129.653
flat angles P-C4'-P energy: -71.068
tors. eta vs tors. theta energy: -141.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1469.438039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.438039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.438039 (E_RNA)
where:
Base-Base interactions energy: -984.013
where: short stacking energy: -408.108
Base-Backbone interact. energy: -0.659
local terms energy: -484.765816
where:
bonds (distance) C4'-P energy: -93.476
bonds (distance) P-C4' energy: -105.315
flat angles C4'-P-C4' energy: -110.209
flat angles P-C4'-P energy: -59.886
tors. eta vs tors. theta energy: -115.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1388.947034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.947034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.947034 (E_RNA)
where:
Base-Base interactions energy: -916.722
where: short stacking energy: -413.424
Base-Backbone interact. energy: -3.298
local terms energy: -468.926497
where:
bonds (distance) C4'-P energy: -91.975
bonds (distance) P-C4' energy: -88.188
flat angles C4'-P-C4' energy: -101.277
flat angles P-C4'-P energy: -66.702
tors. eta vs tors. theta energy: -120.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1306.238392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.238392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.238392 (E_RNA)
where:
Base-Base interactions energy: -876.433
where: short stacking energy: -382.040
Base-Backbone interact. energy: -0.165
local terms energy: -429.640305
where:
bonds (distance) C4'-P energy: -81.591
bonds (distance) P-C4' energy: -97.876
flat angles C4'-P-C4' energy: -102.617
flat angles P-C4'-P energy: -58.368
tors. eta vs tors. theta energy: -89.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1105.594893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.594893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.594893 (E_RNA)
where:
Base-Base interactions energy: -710.285
where: short stacking energy: -336.102
Base-Backbone interact. energy: -1.120
local terms energy: -394.190187
where:
bonds (distance) C4'-P energy: -85.918
bonds (distance) P-C4' energy: -84.409
flat angles C4'-P-C4' energy: -91.393
flat angles P-C4'-P energy: -61.271
tors. eta vs tors. theta energy: -71.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1001.094753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.094753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.094753 (E_RNA)
where:
Base-Base interactions energy: -634.775
where: short stacking energy: -274.792
Base-Backbone interact. energy: -0.893
local terms energy: -365.425911
where:
bonds (distance) C4'-P energy: -80.739
bonds (distance) P-C4' energy: -89.010
flat angles C4'-P-C4' energy: -84.033
flat angles P-C4'-P energy: -59.556
tors. eta vs tors. theta energy: -52.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -754.496076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.496076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.496076 (E_RNA)
where:
Base-Base interactions energy: -416.958
where: short stacking energy: -195.543
Base-Backbone interact. energy: -0.888
local terms energy: -336.649545
where:
bonds (distance) C4'-P energy: -87.776
bonds (distance) P-C4' energy: -94.560
flat angles C4'-P-C4' energy: -83.069
flat angles P-C4'-P energy: -51.706
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -597.009810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.009810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.009810 (E_RNA)
where:
Base-Base interactions energy: -325.773
where: short stacking energy: -167.629
Base-Backbone interact. energy: -0.467
local terms energy: -270.769977
where:
bonds (distance) C4'-P energy: -81.807
bonds (distance) P-C4' energy: -79.507
flat angles C4'-P-C4' energy: -63.434
flat angles P-C4'-P energy: -29.151
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1769.138201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.138201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.138201 (E_RNA)
where:
Base-Base interactions energy: -1217.907
where: short stacking energy: -529.558
Base-Backbone interact. energy: -0.572
local terms energy: -550.659187
where:
bonds (distance) C4'-P energy: -105.969
bonds (distance) P-C4' energy: -99.198
flat angles C4'-P-C4' energy: -120.573
flat angles P-C4'-P energy: -75.426
tors. eta vs tors. theta energy: -149.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1664.838271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.838271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.838271 (E_RNA)
where:
Base-Base interactions energy: -1143.995
where: short stacking energy: -493.340
Base-Backbone interact. energy: -2.811
local terms energy: -518.032109
where:
bonds (distance) C4'-P energy: -102.978
bonds (distance) P-C4' energy: -89.296
flat angles C4'-P-C4' energy: -114.645
flat angles P-C4'-P energy: -70.668
tors. eta vs tors. theta energy: -140.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1587.035161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.035161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.035161 (E_RNA)
where:
Base-Base interactions energy: -1080.530
where: short stacking energy: -468.678
Base-Backbone interact. energy: -0.019
local terms energy: -506.486098
where:
bonds (distance) C4'-P energy: -96.613
bonds (distance) P-C4' energy: -98.812
flat angles C4'-P-C4' energy: -98.996
flat angles P-C4'-P energy: -70.038
tors. eta vs tors. theta energy: -142.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1499.763224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.763224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.763224 (E_RNA)
where:
Base-Base interactions energy: -1029.999
where: short stacking energy: -442.232
Base-Backbone interact. energy: -1.568
local terms energy: -468.196575
where:
bonds (distance) C4'-P energy: -102.801
bonds (distance) P-C4' energy: -79.661
flat angles C4'-P-C4' energy: -107.685
flat angles P-C4'-P energy: -56.122
tors. eta vs tors. theta energy: -121.928
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: 9
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1400.249889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.249889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.249889 (E_RNA)
where:
Base-Base interactions energy: -921.314
where: short stacking energy: -430.432
Base-Backbone interact. energy: -1.806
local terms energy: -477.129395
where:
bonds (distance) C4'-P energy: -84.638
bonds (distance) P-C4' energy: -103.551
flat angles C4'-P-C4' energy: -98.547
flat angles P-C4'-P energy: -71.212
tors. eta vs tors. theta energy: -119.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1324.955229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.955229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.955229 (E_RNA)
where:
Base-Base interactions energy: -898.652
where: short stacking energy: -380.231
Base-Backbone interact. energy: 1.996
local terms energy: -428.299557
where:
bonds (distance) C4'-P energy: -77.064
bonds (distance) P-C4' energy: -86.037
flat angles C4'-P-C4' energy: -103.116
flat angles P-C4'-P energy: -63.754
tors. eta vs tors. theta energy: -98.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1119.893103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.893103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.893103 (E_RNA)
where:
Base-Base interactions energy: -709.740
where: short stacking energy: -303.913
Base-Backbone interact. energy: -0.673
local terms energy: -409.479667
where:
bonds (distance) C4'-P energy: -80.879
bonds (distance) P-C4' energy: -108.383
flat angles C4'-P-C4' energy: -93.255
flat angles P-C4'-P energy: -52.601
tors. eta vs tors. theta energy: -74.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1036.788023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.788023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.788023 (E_RNA)
where:
Base-Base interactions energy: -665.420
where: short stacking energy: -288.066
Base-Backbone interact. energy: -1.469
local terms energy: -369.899493
where:
bonds (distance) C4'-P energy: -83.537
bonds (distance) P-C4' energy: -101.879
flat angles C4'-P-C4' energy: -72.405
flat angles P-C4'-P energy: -60.593
tors. eta vs tors. theta energy: -51.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -786.070741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.070741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.070741 (E_RNA)
where:
Base-Base interactions energy: -467.737
where: short stacking energy: -223.291
Base-Backbone interact. energy: -0.986
local terms energy: -317.347970
where:
bonds (distance) C4'-P energy: -76.790
bonds (distance) P-C4' energy: -93.188
flat angles C4'-P-C4' energy: -78.359
flat angles P-C4'-P energy: -42.125
tors. eta vs tors. theta energy: -26.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -576.905633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.905633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.905633 (E_RNA)
where:
Base-Base interactions energy: -309.576
where: short stacking energy: -160.189
Base-Backbone interact. energy: -0.251
local terms energy: -267.078372
where:
bonds (distance) C4'-P energy: -66.644
bonds (distance) P-C4' energy: -88.270
flat angles C4'-P-C4' energy: -66.937
flat angles P-C4'-P energy: -50.460
tors. eta vs tors. theta energy: 5.232
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: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1782.212563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.212563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.212563 (E_RNA)
where:
Base-Base interactions energy: -1211.779
where: short stacking energy: -521.138
Base-Backbone interact. energy: -2.217
local terms energy: -568.216618
where:
bonds (distance) C4'-P energy: -107.750
bonds (distance) P-C4' energy: -110.678
flat angles C4'-P-C4' energy: -115.052
flat angles P-C4'-P energy: -78.715
tors. eta vs tors. theta energy: -156.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1656.389152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.389152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.389152 (E_RNA)
where:
Base-Base interactions energy: -1129.853
where: short stacking energy: -470.454
Base-Backbone interact. energy: -4.488
local terms energy: -522.047970
where:
bonds (distance) C4'-P energy: -97.611
bonds (distance) P-C4' energy: -108.467
flat angles C4'-P-C4' energy: -110.583
flat angles P-C4'-P energy: -68.327
tors. eta vs tors. theta energy: -137.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1611.312837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.312837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.312837 (E_RNA)
where:
Base-Base interactions energy: -1081.014
where: short stacking energy: -476.273
Base-Backbone interact. energy: -0.485
local terms energy: -529.813527
where:
bonds (distance) C4'-P energy: -103.567
bonds (distance) P-C4' energy: -109.086
flat angles C4'-P-C4' energy: -106.251
flat angles P-C4'-P energy: -73.147
tors. eta vs tors. theta energy: -137.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1507.393093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.393093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.393093 (E_RNA)
where:
Base-Base interactions energy: -1037.284
where: short stacking energy: -437.189
Base-Backbone interact. energy: -1.277
local terms energy: -468.831989
where:
bonds (distance) C4'-P energy: -86.376
bonds (distance) P-C4' energy: -91.763
flat angles C4'-P-C4' energy: -107.247
flat angles P-C4'-P energy: -65.823
tors. eta vs tors. theta energy: -117.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1418.104831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.104831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.104831 (E_RNA)
where:
Base-Base interactions energy: -971.260
where: short stacking energy: -415.096
Base-Backbone interact. energy: 0.554
local terms energy: -447.399189
where:
bonds (distance) C4'-P energy: -82.103
bonds (distance) P-C4' energy: -93.504
flat angles C4'-P-C4' energy: -109.496
flat angles P-C4'-P energy: -50.994
tors. eta vs tors. theta energy: -111.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1376.617942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.617942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.617942 (E_RNA)
where:
Base-Base interactions energy: -916.450
where: short stacking energy: -419.838
Base-Backbone interact. energy: 0.785
local terms energy: -460.952719
where:
bonds (distance) C4'-P energy: -78.314
bonds (distance) P-C4' energy: -100.762
flat angles C4'-P-C4' energy: -96.329
flat angles P-C4'-P energy: -69.827
tors. eta vs tors. theta energy: -115.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1139.399822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.399822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.399822 (E_RNA)
where:
Base-Base interactions energy: -726.375
where: short stacking energy: -322.180
Base-Backbone interact. energy: -1.608
local terms energy: -411.416857
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -94.180
flat angles C4'-P-C4' energy: -81.299
flat angles P-C4'-P energy: -58.437
tors. eta vs tors. theta energy: -85.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -965.592641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.592641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.592641 (E_RNA)
where:
Base-Base interactions energy: -606.120
where: short stacking energy: -266.653
Base-Backbone interact. energy: -2.056
local terms energy: -357.417133
where:
bonds (distance) C4'-P energy: -80.189
bonds (distance) P-C4' energy: -90.396
flat angles C4'-P-C4' energy: -83.944
flat angles P-C4'-P energy: -57.724
tors. eta vs tors. theta energy: -45.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -812.178767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.178767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.178767 (E_RNA)
where:
Base-Base interactions energy: -466.970
where: short stacking energy: -216.029
Base-Backbone interact. energy: -1.856
local terms energy: -343.352909
where:
bonds (distance) C4'-P energy: -91.461
bonds (distance) P-C4' energy: -79.192
flat angles C4'-P-C4' energy: -85.576
flat angles P-C4'-P energy: -55.415
tors. eta vs tors. theta energy: -31.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -525.034036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.034036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.034036 (E_RNA)
where:
Base-Base interactions energy: -247.410
where: short stacking energy: -137.826
Base-Backbone interact. energy: 0.683
local terms energy: -278.306831
where:
bonds (distance) C4'-P energy: -82.549
bonds (distance) P-C4' energy: -87.647
flat angles C4'-P-C4' energy: -76.411
flat angles P-C4'-P energy: -39.911
tors. eta vs tors. theta energy: 8.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1777.600865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.600865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.600865 (E_RNA)
where:
Base-Base interactions energy: -1221.985
where: short stacking energy: -530.480
Base-Backbone interact. energy: -1.879
local terms energy: -553.736823
where:
bonds (distance) C4'-P energy: -101.205
bonds (distance) P-C4' energy: -103.493
flat angles C4'-P-C4' energy: -116.660
flat angles P-C4'-P energy: -79.954
tors. eta vs tors. theta energy: -152.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1687.830327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.830327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.830327 (E_RNA)
where:
Base-Base interactions energy: -1170.359
where: short stacking energy: -503.137
Base-Backbone interact. energy: 0.947
local terms energy: -518.418048
where:
bonds (distance) C4'-P energy: -93.510
bonds (distance) P-C4' energy: -96.815
flat angles C4'-P-C4' energy: -111.559
flat angles P-C4'-P energy: -76.283
tors. eta vs tors. theta energy: -140.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1635.162800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.162800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.162800 (E_RNA)
where:
Base-Base interactions energy: -1104.523
where: short stacking energy: -478.031
Base-Backbone interact. energy: 1.006
local terms energy: -531.644987
where:
bonds (distance) C4'-P energy: -93.619
bonds (distance) P-C4' energy: -104.777
flat angles C4'-P-C4' energy: -113.157
flat angles P-C4'-P energy: -74.318
tors. eta vs tors. theta energy: -145.775
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: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1521.686256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.686256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.686256 (E_RNA)
where:
Base-Base interactions energy: -1027.422
where: short stacking energy: -433.872
Base-Backbone interact. energy: -2.511
local terms energy: -491.753120
where:
bonds (distance) C4'-P energy: -103.321
bonds (distance) P-C4' energy: -92.578
flat angles C4'-P-C4' energy: -101.901
flat angles P-C4'-P energy: -66.399
tors. eta vs tors. theta energy: -127.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1383.903664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.903664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.903664 (E_RNA)
where:
Base-Base interactions energy: -918.495
where: short stacking energy: -383.049
Base-Backbone interact. energy: -0.578
local terms energy: -464.830763
where:
bonds (distance) C4'-P energy: -86.669
bonds (distance) P-C4' energy: -103.112
flat angles C4'-P-C4' energy: -102.366
flat angles P-C4'-P energy: -66.156
tors. eta vs tors. theta energy: -106.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1373.719764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.719764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.719764 (E_RNA)
where:
Base-Base interactions energy: -934.428
where: short stacking energy: -414.344
Base-Backbone interact. energy: -0.943
local terms energy: -438.348878
where:
bonds (distance) C4'-P energy: -83.703
bonds (distance) P-C4' energy: -94.976
flat angles C4'-P-C4' energy: -87.839
flat angles P-C4'-P energy: -56.460
tors. eta vs tors. theta energy: -115.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1163.737816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.737816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.737816 (E_RNA)
where:
Base-Base interactions energy: -757.970
where: short stacking energy: -332.008
Base-Backbone interact. energy: 4.150
local terms energy: -409.918077
where:
bonds (distance) C4'-P energy: -78.100
bonds (distance) P-C4' energy: -89.405
flat angles C4'-P-C4' energy: -97.546
flat angles P-C4'-P energy: -64.173
tors. eta vs tors. theta energy: -80.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -918.190393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.190393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.190393 (E_RNA)
where:
Base-Base interactions energy: -562.328
where: short stacking energy: -244.497
Base-Backbone interact. energy: -1.897
local terms energy: -353.965214
where:
bonds (distance) C4'-P energy: -72.602
bonds (distance) P-C4' energy: -99.182
flat angles C4'-P-C4' energy: -85.387
flat angles P-C4'-P energy: -57.983
tors. eta vs tors. theta energy: -38.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -886.445909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.445909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.445909 (E_RNA)
where:
Base-Base interactions energy: -526.677
where: short stacking energy: -253.544
Base-Backbone interact. energy: 1.326
local terms energy: -361.094681
where:
bonds (distance) C4'-P energy: -94.865
bonds (distance) P-C4' energy: -87.332
flat angles C4'-P-C4' energy: -89.625
flat angles P-C4'-P energy: -38.743
tors. eta vs tors. theta energy: -50.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -518.902795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.902795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.902795 (E_RNA)
where:
Base-Base interactions energy: -244.270
where: short stacking energy: -153.636
Base-Backbone interact. energy: 2.131
local terms energy: -276.764248
where:
bonds (distance) C4'-P energy: -68.393
bonds (distance) P-C4' energy: -81.842
flat angles C4'-P-C4' energy: -75.599
flat angles P-C4'-P energy: -42.171
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1792.466808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.466808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.466808 (E_RNA)
where:
Base-Base interactions energy: -1235.203
where: short stacking energy: -537.679
Base-Backbone interact. energy: -0.397
local terms energy: -556.867326
where:
bonds (distance) C4'-P energy: -97.069
bonds (distance) P-C4' energy: -107.740
flat angles C4'-P-C4' energy: -122.025
flat angles P-C4'-P energy: -78.242
tors. eta vs tors. theta energy: -151.792
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: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1686.950567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.950567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.950567 (E_RNA)
where:
Base-Base interactions energy: -1158.565
where: short stacking energy: -465.696
Base-Backbone interact. energy: 0.548
local terms energy: -528.933409
where:
bonds (distance) C4'-P energy: -102.457
bonds (distance) P-C4' energy: -98.684
flat angles C4'-P-C4' energy: -109.036
flat angles P-C4'-P energy: -77.828
tors. eta vs tors. theta energy: -140.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1598.196011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.196011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.196011 (E_RNA)
where:
Base-Base interactions energy: -1079.055
where: short stacking energy: -482.055
Base-Backbone interact. energy: -3.837
local terms energy: -515.304599
where:
bonds (distance) C4'-P energy: -94.160
bonds (distance) P-C4' energy: -88.748
flat angles C4'-P-C4' energy: -114.746
flat angles P-C4'-P energy: -77.775
tors. eta vs tors. theta energy: -139.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1529.862675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.862675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.862675 (E_RNA)
where:
Base-Base interactions energy: -1038.282
where: short stacking energy: -460.924
Base-Backbone interact. energy: -2.557
local terms energy: -489.023171
where:
bonds (distance) C4'-P energy: -98.647
bonds (distance) P-C4' energy: -98.569
flat angles C4'-P-C4' energy: -106.076
flat angles P-C4'-P energy: -58.719
tors. eta vs tors. theta energy: -127.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1439.768635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.768635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.768635 (E_RNA)
where:
Base-Base interactions energy: -956.669
where: short stacking energy: -408.477
Base-Backbone interact. energy: -0.799
local terms energy: -482.300663
where:
bonds (distance) C4'-P energy: -79.702
bonds (distance) P-C4' energy: -105.482
flat angles C4'-P-C4' energy: -110.921
flat angles P-C4'-P energy: -75.950
tors. eta vs tors. theta energy: -110.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1315.485739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.485739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.485739 (E_RNA)
where:
Base-Base interactions energy: -874.949
where: short stacking energy: -397.103
Base-Backbone interact. energy: 3.819
local terms energy: -444.355905
where:
bonds (distance) C4'-P energy: -89.454
bonds (distance) P-C4' energy: -92.635
flat angles C4'-P-C4' energy: -103.725
flat angles P-C4'-P energy: -54.286
tors. eta vs tors. theta energy: -104.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1210.088896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.088896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.088896 (E_RNA)
where:
Base-Base interactions energy: -786.089
where: short stacking energy: -361.652
Base-Backbone interact. energy: 1.091
local terms energy: -425.090528
where:
bonds (distance) C4'-P energy: -96.035
bonds (distance) P-C4' energy: -89.432
flat angles C4'-P-C4' energy: -95.661
flat angles P-C4'-P energy: -56.917
tors. eta vs tors. theta energy: -87.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -925.007206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.007206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.007206 (E_RNA)
where:
Base-Base interactions energy: -585.976
where: short stacking energy: -284.053
Base-Backbone interact. energy: -1.753
local terms energy: -337.277422
where:
bonds (distance) C4'-P energy: -80.968
bonds (distance) P-C4' energy: -78.306
flat angles C4'-P-C4' energy: -92.742
flat angles P-C4'-P energy: -45.204
tors. eta vs tors. theta energy: -40.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -834.686099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.686099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.686099 (E_RNA)
where:
Base-Base interactions energy: -508.438
where: short stacking energy: -261.422
Base-Backbone interact. energy: -0.612
local terms energy: -325.636324
where:
bonds (distance) C4'-P energy: -78.544
bonds (distance) P-C4' energy: -87.615
flat angles C4'-P-C4' energy: -84.944
flat angles P-C4'-P energy: -48.460
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -511.269602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.269602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.269602 (E_RNA)
where:
Base-Base interactions energy: -236.885
where: short stacking energy: -141.591
Base-Backbone interact. energy: -0.505
local terms energy: -273.879297
where:
bonds (distance) C4'-P energy: -78.973
bonds (distance) P-C4' energy: -66.286
flat angles C4'-P-C4' energy: -75.563
flat angles P-C4'-P energy: -41.357
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1792.937234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.937234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.937234 (E_RNA)
where:
Base-Base interactions energy: -1230.737
where: short stacking energy: -525.641
Base-Backbone interact. energy: -0.436
local terms energy: -561.764951
where:
bonds (distance) C4'-P energy: -101.348
bonds (distance) P-C4' energy: -99.704
flat angles C4'-P-C4' energy: -116.110
flat angles P-C4'-P energy: -85.185
tors. eta vs tors. theta energy: -159.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1680.051954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.051954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.051954 (E_RNA)
where:
Base-Base interactions energy: -1177.624
where: short stacking energy: -496.669
Base-Backbone interact. energy: -2.676
local terms energy: -499.752753
where:
bonds (distance) C4'-P energy: -92.747
bonds (distance) P-C4' energy: -87.129
flat angles C4'-P-C4' energy: -107.042
flat angles P-C4'-P energy: -71.550
tors. eta vs tors. theta energy: -141.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1579.032433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.032433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.032433 (E_RNA)
where:
Base-Base interactions energy: -1058.445
where: short stacking energy: -443.694
Base-Backbone interact. energy: -0.067
local terms energy: -520.520623
where:
bonds (distance) C4'-P energy: -95.327
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -117.550
flat angles P-C4'-P energy: -76.989
tors. eta vs tors. theta energy: -133.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1522.909476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.909476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.909476 (E_RNA)
where:
Base-Base interactions energy: -1051.602
where: short stacking energy: -412.446
Base-Backbone interact. energy: 1.630
local terms energy: -472.938062
where:
bonds (distance) C4'-P energy: -83.466
bonds (distance) P-C4' energy: -95.126
flat angles C4'-P-C4' energy: -103.739
flat angles P-C4'-P energy: -65.280
tors. eta vs tors. theta energy: -125.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1397.477488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.477488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.477488 (E_RNA)
where:
Base-Base interactions energy: -943.306
where: short stacking energy: -407.537
Base-Backbone interact. energy: -1.934
local terms energy: -452.237526
where:
bonds (distance) C4'-P energy: -89.978
bonds (distance) P-C4' energy: -86.462
flat angles C4'-P-C4' energy: -103.218
flat angles P-C4'-P energy: -65.660
tors. eta vs tors. theta energy: -106.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1286.933491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.933491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.933491 (E_RNA)
where:
Base-Base interactions energy: -842.512
where: short stacking energy: -373.239
Base-Backbone interact. energy: 4.302
local terms energy: -448.723164
where:
bonds (distance) C4'-P energy: -88.616
bonds (distance) P-C4' energy: -92.100
flat angles C4'-P-C4' energy: -92.972
flat angles P-C4'-P energy: -69.359
tors. eta vs tors. theta energy: -105.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1166.661766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.661766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.661766 (E_RNA)
where:
Base-Base interactions energy: -736.298
where: short stacking energy: -330.799
Base-Backbone interact. energy: -2.023
local terms energy: -428.341333
where:
bonds (distance) C4'-P energy: -92.642
bonds (distance) P-C4' energy: -91.305
flat angles C4'-P-C4' energy: -101.849
flat angles P-C4'-P energy: -68.795
tors. eta vs tors. theta energy: -73.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -951.143535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.143535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.143535 (E_RNA)
where:
Base-Base interactions energy: -603.836
where: short stacking energy: -259.501
Base-Backbone interact. energy: -2.360
local terms energy: -344.946854
where:
bonds (distance) C4'-P energy: -73.292
bonds (distance) P-C4' energy: -86.533
flat angles C4'-P-C4' energy: -98.897
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -825.710984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.710984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.710984 (E_RNA)
where:
Base-Base interactions energy: -494.914
where: short stacking energy: -221.455
Base-Backbone interact. energy: -1.735
local terms energy: -329.061627
where:
bonds (distance) C4'-P energy: -72.853
bonds (distance) P-C4' energy: -91.626
flat angles C4'-P-C4' energy: -82.564
flat angles P-C4'-P energy: -59.306
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -543.030100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.030100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.030100 (E_RNA)
where:
Base-Base interactions energy: -267.696
where: short stacking energy: -134.493
Base-Backbone interact. energy: -0.681
local terms energy: -274.653535
where:
bonds (distance) C4'-P energy: -74.930
bonds (distance) P-C4' energy: -89.505
flat angles C4'-P-C4' energy: -72.881
flat angles P-C4'-P energy: -45.669
tors. eta vs tors. theta energy: 8.331
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: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1803.223797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.223797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.223797 (E_RNA)
where:
Base-Base interactions energy: -1237.031
where: short stacking energy: -556.474
Base-Backbone interact. energy: -1.421
local terms energy: -564.771779
where:
bonds (distance) C4'-P energy: -101.179
bonds (distance) P-C4' energy: -104.496
flat angles C4'-P-C4' energy: -124.419
flat angles P-C4'-P energy: -73.640
tors. eta vs tors. theta energy: -161.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1653.975818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.975818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.975818 (E_RNA)
where:
Base-Base interactions energy: -1125.380
where: short stacking energy: -452.360
Base-Backbone interact. energy: -1.414
local terms energy: -527.180966
where:
bonds (distance) C4'-P energy: -104.122
bonds (distance) P-C4' energy: -110.234
flat angles C4'-P-C4' energy: -115.746
flat angles P-C4'-P energy: -62.707
tors. eta vs tors. theta energy: -134.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1563.740428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.740428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.740428 (E_RNA)
where:
Base-Base interactions energy: -1051.710
where: short stacking energy: -476.326
Base-Backbone interact. energy: -0.631
local terms energy: -511.399173
where:
bonds (distance) C4'-P energy: -108.128
bonds (distance) P-C4' energy: -105.965
flat angles C4'-P-C4' energy: -107.834
flat angles P-C4'-P energy: -47.871
tors. eta vs tors. theta energy: -141.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1529.886972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.886972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.886972 (E_RNA)
where:
Base-Base interactions energy: -1053.020
where: short stacking energy: -440.633
Base-Backbone interact. energy: 0.549
local terms energy: -477.416414
where:
bonds (distance) C4'-P energy: -88.415
bonds (distance) P-C4' energy: -102.937
flat angles C4'-P-C4' energy: -104.210
flat angles P-C4'-P energy: -62.796
tors. eta vs tors. theta energy: -119.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1429.486285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.486285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.486285 (E_RNA)
where:
Base-Base interactions energy: -982.658
where: short stacking energy: -412.863
Base-Backbone interact. energy: -0.342
local terms energy: -446.485670
where:
bonds (distance) C4'-P energy: -83.031
bonds (distance) P-C4' energy: -89.893
flat angles C4'-P-C4' energy: -104.558
flat angles P-C4'-P energy: -55.453
tors. eta vs tors. theta energy: -113.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1268.586622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.586622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.586622 (E_RNA)
where:
Base-Base interactions energy: -853.211
where: short stacking energy: -339.944
Base-Backbone interact. energy: -0.775
local terms energy: -414.601473
where:
bonds (distance) C4'-P energy: -90.902
bonds (distance) P-C4' energy: -80.077
flat angles C4'-P-C4' energy: -95.853
flat angles P-C4'-P energy: -59.798
tors. eta vs tors. theta energy: -87.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1119.906881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.906881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.906881 (E_RNA)
where:
Base-Base interactions energy: -747.557
where: short stacking energy: -333.243
Base-Backbone interact. energy: -2.978
local terms energy: -369.372189
where:
bonds (distance) C4'-P energy: -66.376
bonds (distance) P-C4' energy: -85.675
flat angles C4'-P-C4' energy: -80.679
flat angles P-C4'-P energy: -66.952
tors. eta vs tors. theta energy: -69.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -865.425296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.425296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.425296 (E_RNA)
where:
Base-Base interactions energy: -524.925
where: short stacking energy: -238.890
Base-Backbone interact. energy: -1.584
local terms energy: -338.915846
where:
bonds (distance) C4'-P energy: -70.789
bonds (distance) P-C4' energy: -90.579
flat angles C4'-P-C4' energy: -93.279
flat angles P-C4'-P energy: -47.897
tors. eta vs tors. theta energy: -36.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -828.920735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.920735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.920735 (E_RNA)
where:
Base-Base interactions energy: -506.003
where: short stacking energy: -256.953
Base-Backbone interact. energy: -0.826
local terms energy: -322.091359
where:
bonds (distance) C4'-P energy: -72.385
bonds (distance) P-C4' energy: -86.419
flat angles C4'-P-C4' energy: -77.436
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -646.271344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.271344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.271344 (E_RNA)
where:
Base-Base interactions energy: -338.460
where: short stacking energy: -180.028
Base-Backbone interact. energy: 1.562
local terms energy: -309.373244
where:
bonds (distance) C4'-P energy: -87.288
bonds (distance) P-C4' energy: -80.788
flat angles C4'-P-C4' energy: -71.796
flat angles P-C4'-P energy: -49.169
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1804.379945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.379945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.379945 (E_RNA)
where:
Base-Base interactions energy: -1233.725
where: short stacking energy: -535.678
Base-Backbone interact. energy: -0.128
local terms energy: -570.526703
where:
bonds (distance) C4'-P energy: -99.435
bonds (distance) P-C4' energy: -109.341
flat angles C4'-P-C4' energy: -118.730
flat angles P-C4'-P energy: -75.168
tors. eta vs tors. theta energy: -167.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1600.816242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.816242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.816242 (E_RNA)
where:
Base-Base interactions energy: -1080.034
where: short stacking energy: -454.918
Base-Backbone interact. energy: -2.023
local terms energy: -518.758933
where:
bonds (distance) C4'-P energy: -102.169
bonds (distance) P-C4' energy: -105.397
flat angles C4'-P-C4' energy: -108.064
flat angles P-C4'-P energy: -67.297
tors. eta vs tors. theta energy: -135.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1634.749668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.749668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.749668 (E_RNA)
where:
Base-Base interactions energy: -1126.745
where: short stacking energy: -472.294
Base-Backbone interact. energy: -1.895
local terms energy: -506.110169
where:
bonds (distance) C4'-P energy: -79.055
bonds (distance) P-C4' energy: -105.472
flat angles C4'-P-C4' energy: -110.301
flat angles P-C4'-P energy: -72.081
tors. eta vs tors. theta energy: -139.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1546.041144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.041144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.041144 (E_RNA)
where:
Base-Base interactions energy: -1051.772
where: short stacking energy: -448.092
Base-Backbone interact. energy: 0.483
local terms energy: -494.751687
where:
bonds (distance) C4'-P energy: -93.447
bonds (distance) P-C4' energy: -100.139
flat angles C4'-P-C4' energy: -107.255
flat angles P-C4'-P energy: -63.993
tors. eta vs tors. theta energy: -129.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1460.623787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.623787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.623787 (E_RNA)
where:
Base-Base interactions energy: -961.504
where: short stacking energy: -416.723
Base-Backbone interact. energy: -1.418
local terms energy: -497.701974
where:
bonds (distance) C4'-P energy: -99.704
bonds (distance) P-C4' energy: -85.742
flat angles C4'-P-C4' energy: -116.468
flat angles P-C4'-P energy: -72.291
tors. eta vs tors. theta energy: -123.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1324.971128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.971128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.971128 (E_RNA)
where:
Base-Base interactions energy: -873.953
where: short stacking energy: -369.016
Base-Backbone interact. energy: -0.719
local terms energy: -450.298480
where:
bonds (distance) C4'-P energy: -94.654
bonds (distance) P-C4' energy: -94.387
flat angles C4'-P-C4' energy: -100.651
flat angles P-C4'-P energy: -53.466
tors. eta vs tors. theta energy: -107.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1105.619593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.619593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.619593 (E_RNA)
where:
Base-Base interactions energy: -685.946
where: short stacking energy: -294.517
Base-Backbone interact. energy: -0.772
local terms energy: -418.901577
where:
bonds (distance) C4'-P energy: -94.965
bonds (distance) P-C4' energy: -89.492
flat angles C4'-P-C4' energy: -113.663
flat angles P-C4'-P energy: -61.758
tors. eta vs tors. theta energy: -59.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -907.559915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.559915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.559915 (E_RNA)
where:
Base-Base interactions energy: -538.878
where: short stacking energy: -264.017
Base-Backbone interact. energy: -2.721
local terms energy: -365.960997
where:
bonds (distance) C4'-P energy: -88.629
bonds (distance) P-C4' energy: -94.606
flat angles C4'-P-C4' energy: -97.867
flat angles P-C4'-P energy: -43.175
tors. eta vs tors. theta energy: -41.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -830.790872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.790872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.790872 (E_RNA)
where:
Base-Base interactions energy: -487.465
where: short stacking energy: -230.649
Base-Backbone interact. energy: 8.311
local terms energy: -351.637524
where:
bonds (distance) C4'-P energy: -70.978
bonds (distance) P-C4' energy: -85.660
flat angles C4'-P-C4' energy: -94.280
flat angles P-C4'-P energy: -50.637
tors. eta vs tors. theta energy: -50.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -632.655251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.655251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.655251 (E_RNA)
where:
Base-Base interactions energy: -331.885
where: short stacking energy: -182.635
Base-Backbone interact. energy: 1.845
local terms energy: -302.614876
where:
bonds (distance) C4'-P energy: -75.968
bonds (distance) P-C4' energy: -91.124
flat angles C4'-P-C4' energy: -61.933
flat angles P-C4'-P energy: -57.626
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1822.240499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.240499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.240499 (E_RNA)
where:
Base-Base interactions energy: -1255.469
where: short stacking energy: -548.417
Base-Backbone interact. energy: 1.960
local terms energy: -568.731966
where:
bonds (distance) C4'-P energy: -105.937
bonds (distance) P-C4' energy: -103.711
flat angles C4'-P-C4' energy: -114.330
flat angles P-C4'-P energy: -90.374
tors. eta vs tors. theta energy: -154.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1645.211686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.211686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.211686 (E_RNA)
where:
Base-Base interactions energy: -1129.234
where: short stacking energy: -488.781
Base-Backbone interact. energy: 0.905
local terms energy: -516.882844
where:
bonds (distance) C4'-P energy: -98.981
bonds (distance) P-C4' energy: -94.560
flat angles C4'-P-C4' energy: -112.778
flat angles P-C4'-P energy: -72.360
tors. eta vs tors. theta energy: -138.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1644.919512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.919512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.919512 (E_RNA)
where:
Base-Base interactions energy: -1123.099
where: short stacking energy: -480.024
Base-Backbone interact. energy: -2.222
local terms energy: -519.598084
where:
bonds (distance) C4'-P energy: -91.249
bonds (distance) P-C4' energy: -100.176
flat angles C4'-P-C4' energy: -107.987
flat angles P-C4'-P energy: -77.388
tors. eta vs tors. theta energy: -142.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1552.097440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.097440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.097440 (E_RNA)
where:
Base-Base interactions energy: -1062.852
where: short stacking energy: -466.724
Base-Backbone interact. energy: -0.120
local terms energy: -489.124585
where:
bonds (distance) C4'-P energy: -83.734
bonds (distance) P-C4' energy: -93.336
flat angles C4'-P-C4' energy: -106.234
flat angles P-C4'-P energy: -72.081
tors. eta vs tors. theta energy: -133.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1425.716020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.716020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.716020 (E_RNA)
where:
Base-Base interactions energy: -950.163
where: short stacking energy: -420.787
Base-Backbone interact. energy: -1.154
local terms energy: -474.398627
where:
bonds (distance) C4'-P energy: -84.083
bonds (distance) P-C4' energy: -100.465
flat angles C4'-P-C4' energy: -108.845
flat angles P-C4'-P energy: -68.462
tors. eta vs tors. theta energy: -112.543
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: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1322.357230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.357230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.357230 (E_RNA)
where:
Base-Base interactions energy: -860.739
where: short stacking energy: -371.030
Base-Backbone interact. energy: 3.067
local terms energy: -464.685406
where:
bonds (distance) C4'-P energy: -92.468
bonds (distance) P-C4' energy: -102.295
flat angles C4'-P-C4' energy: -93.432
flat angles P-C4'-P energy: -70.765
tors. eta vs tors. theta energy: -105.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1134.338224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.338224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.338224 (E_RNA)
where:
Base-Base interactions energy: -729.050
where: short stacking energy: -328.918
Base-Backbone interact. energy: -1.828
local terms energy: -403.459811
where:
bonds (distance) C4'-P energy: -91.556
bonds (distance) P-C4' energy: -88.444
flat angles C4'-P-C4' energy: -89.539
flat angles P-C4'-P energy: -59.407
tors. eta vs tors. theta energy: -74.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -911.491119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.491119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.491119 (E_RNA)
where:
Base-Base interactions energy: -577.916
where: short stacking energy: -271.486
Base-Backbone interact. energy: 3.549
local terms energy: -337.123763
where:
bonds (distance) C4'-P energy: -88.734
bonds (distance) P-C4' energy: -83.671
flat angles C4'-P-C4' energy: -73.311
flat angles P-C4'-P energy: -39.885
tors. eta vs tors. theta energy: -51.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -828.119960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.119960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.119960 (E_RNA)
where:
Base-Base interactions energy: -517.448
where: short stacking energy: -254.938
Base-Backbone interact. energy: 2.477
local terms energy: -313.148105
where:
bonds (distance) C4'-P energy: -71.706
bonds (distance) P-C4' energy: -86.721
flat angles C4'-P-C4' energy: -77.718
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -37.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -542.799110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.799110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.799110 (E_RNA)
where:
Base-Base interactions energy: -251.633
where: short stacking energy: -126.505
Base-Backbone interact. energy: -1.010
local terms energy: -290.155677
where:
bonds (distance) C4'-P energy: -79.105
bonds (distance) P-C4' energy: -102.453
flat angles C4'-P-C4' energy: -74.875
flat angles P-C4'-P energy: -41.843
tors. eta vs tors. theta energy: 8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1811.840386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.840386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.840386 (E_RNA)
where:
Base-Base interactions energy: -1241.451
where: short stacking energy: -541.074
Base-Backbone interact. energy: -1.470
local terms energy: -568.919377
where:
bonds (distance) C4'-P energy: -107.217
bonds (distance) P-C4' energy: -99.946
flat angles C4'-P-C4' energy: -120.611
flat angles P-C4'-P energy: -76.669
tors. eta vs tors. theta energy: -164.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1683.204466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.204466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.204466 (E_RNA)
where:
Base-Base interactions energy: -1166.370
where: short stacking energy: -501.171
Base-Backbone interact. energy: -3.748
local terms energy: -513.085827
where:
bonds (distance) C4'-P energy: -95.283
bonds (distance) P-C4' energy: -99.854
flat angles C4'-P-C4' energy: -100.744
flat angles P-C4'-P energy: -74.556
tors. eta vs tors. theta energy: -142.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1619.218660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.218660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.218660 (E_RNA)
where:
Base-Base interactions energy: -1098.431
where: short stacking energy: -472.904
Base-Backbone interact. energy: 0.750
local terms energy: -521.537586
where:
bonds (distance) C4'-P energy: -102.485
bonds (distance) P-C4' energy: -98.138
flat angles C4'-P-C4' energy: -112.442
flat angles P-C4'-P energy: -65.392
tors. eta vs tors. theta energy: -143.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1507.132179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.132179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.132179 (E_RNA)
where:
Base-Base interactions energy: -1035.785
where: short stacking energy: -447.426
Base-Backbone interact. energy: 1.631
local terms energy: -472.977838
where:
bonds (distance) C4'-P energy: -79.480
bonds (distance) P-C4' energy: -99.484
flat angles C4'-P-C4' energy: -105.063
flat angles P-C4'-P energy: -73.872
tors. eta vs tors. theta energy: -115.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1387.163422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.163422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.163422 (E_RNA)
where:
Base-Base interactions energy: -934.988
where: short stacking energy: -428.634
Base-Backbone interact. energy: 1.787
local terms energy: -453.962547
where:
bonds (distance) C4'-P energy: -86.290
bonds (distance) P-C4' energy: -90.303
flat angles C4'-P-C4' energy: -93.213
flat angles P-C4'-P energy: -74.432
tors. eta vs tors. theta energy: -109.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1317.387125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.387125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.387125 (E_RNA)
where:
Base-Base interactions energy: -869.133
where: short stacking energy: -381.129
Base-Backbone interact. energy: 0.026
local terms energy: -448.280543
where:
bonds (distance) C4'-P energy: -71.735
bonds (distance) P-C4' energy: -90.321
flat angles C4'-P-C4' energy: -99.822
flat angles P-C4'-P energy: -65.193
tors. eta vs tors. theta energy: -121.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1077.574138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.574138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.574138 (E_RNA)
where:
Base-Base interactions energy: -709.317
where: short stacking energy: -314.906
Base-Backbone interact. energy: 1.385
local terms energy: -369.642826
where:
bonds (distance) C4'-P energy: -88.774
bonds (distance) P-C4' energy: -84.646
flat angles C4'-P-C4' energy: -90.441
flat angles P-C4'-P energy: -44.641
tors. eta vs tors. theta energy: -61.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -965.719520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.719520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.719520 (E_RNA)
where:
Base-Base interactions energy: -584.139
where: short stacking energy: -267.970
Base-Backbone interact. energy: 0.248
local terms energy: -381.829280
where:
bonds (distance) C4'-P energy: -82.609
bonds (distance) P-C4' energy: -88.957
flat angles C4'-P-C4' energy: -90.336
flat angles P-C4'-P energy: -56.898
tors. eta vs tors. theta energy: -63.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -828.309291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.309291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.309291 (E_RNA)
where:
Base-Base interactions energy: -484.389
where: short stacking energy: -241.200
Base-Backbone interact. energy: -0.563
local terms energy: -343.357544
where:
bonds (distance) C4'-P energy: -72.239
bonds (distance) P-C4' energy: -75.219
flat angles C4'-P-C4' energy: -97.679
flat angles P-C4'-P energy: -53.060
tors. eta vs tors. theta energy: -45.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -571.989481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.989481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.989481 (E_RNA)
where:
Base-Base interactions energy: -267.321
where: short stacking energy: -153.193
Base-Backbone interact. energy: 2.420
local terms energy: -307.088756
where:
bonds (distance) C4'-P energy: -86.801
bonds (distance) P-C4' energy: -79.403
flat angles C4'-P-C4' energy: -98.961
flat angles P-C4'-P energy: -44.319
tors. eta vs tors. theta energy: 2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1803.241158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.241158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.241158 (E_RNA)
where:
Base-Base interactions energy: -1226.584
where: short stacking energy: -527.359
Base-Backbone interact. energy: -2.934
local terms energy: -573.723769
where:
bonds (distance) C4'-P energy: -104.336
bonds (distance) P-C4' energy: -102.041
flat angles C4'-P-C4' energy: -119.100
flat angles P-C4'-P energy: -81.579
tors. eta vs tors. theta energy: -166.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1667.615895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.615895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.615895 (E_RNA)
where:
Base-Base interactions energy: -1156.986
where: short stacking energy: -487.483
Base-Backbone interact. energy: 0.076
local terms energy: -510.706303
where:
bonds (distance) C4'-P energy: -96.634
bonds (distance) P-C4' energy: -101.920
flat angles C4'-P-C4' energy: -108.145
flat angles P-C4'-P energy: -62.006
tors. eta vs tors. theta energy: -142.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1577.485790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.485790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.485790 (E_RNA)
where:
Base-Base interactions energy: -1062.973
where: short stacking energy: -467.906
Base-Backbone interact. energy: -1.095
local terms energy: -513.417122
where:
bonds (distance) C4'-P energy: -99.478
bonds (distance) P-C4' energy: -94.151
flat angles C4'-P-C4' energy: -116.185
flat angles P-C4'-P energy: -69.388
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: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1515.600281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.600281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.600281 (E_RNA)
where:
Base-Base interactions energy: -1029.312
where: short stacking energy: -455.187
Base-Backbone interact. energy: 0.085
local terms energy: -486.374126
where:
bonds (distance) C4'-P energy: -95.394
bonds (distance) P-C4' energy: -96.524
flat angles C4'-P-C4' energy: -106.073
flat angles P-C4'-P energy: -55.728
tors. eta vs tors. theta energy: -132.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1385.016406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.016406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.016406 (E_RNA)
where:
Base-Base interactions energy: -902.781
where: short stacking energy: -417.100
Base-Backbone interact. energy: -1.631
local terms energy: -480.604191
where:
bonds (distance) C4'-P energy: -93.138
bonds (distance) P-C4' energy: -102.194
flat angles C4'-P-C4' energy: -100.364
flat angles P-C4'-P energy: -68.197
tors. eta vs tors. theta energy: -116.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1349.604692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.604692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.604692 (E_RNA)
where:
Base-Base interactions energy: -906.298
where: short stacking energy: -372.205
Base-Backbone interact. energy: -1.700
local terms energy: -441.606064
where:
bonds (distance) C4'-P energy: -85.390
bonds (distance) P-C4' energy: -94.140
flat angles C4'-P-C4' energy: -95.430
flat angles P-C4'-P energy: -59.766
tors. eta vs tors. theta energy: -106.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1122.309329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.309329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.309329 (E_RNA)
where:
Base-Base interactions energy: -719.560
where: short stacking energy: -300.624
Base-Backbone interact. energy: -0.593
local terms energy: -402.155872
where:
bonds (distance) C4'-P energy: -89.765
bonds (distance) P-C4' energy: -95.343
flat angles C4'-P-C4' energy: -96.762
flat angles P-C4'-P energy: -72.021
tors. eta vs tors. theta energy: -48.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -941.741504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.741504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.741504 (E_RNA)
where:
Base-Base interactions energy: -563.954
where: short stacking energy: -263.357
Base-Backbone interact. energy: -0.310
local terms energy: -377.477931
where:
bonds (distance) C4'-P energy: -90.353
bonds (distance) P-C4' energy: -78.212
flat angles C4'-P-C4' energy: -99.873
flat angles P-C4'-P energy: -57.608
tors. eta vs tors. theta energy: -51.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -852.211352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.211352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.211352 (E_RNA)
where:
Base-Base interactions energy: -500.277
where: short stacking energy: -238.141
Base-Backbone interact. energy: -0.522
local terms energy: -351.412086
where:
bonds (distance) C4'-P energy: -90.549
bonds (distance) P-C4' energy: -73.194
flat angles C4'-P-C4' energy: -81.038
flat angles P-C4'-P energy: -56.536
tors. eta vs tors. theta energy: -50.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -542.269603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.269603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.269603 (E_RNA)
where:
Base-Base interactions energy: -267.920
where: short stacking energy: -162.389
Base-Backbone interact. energy: 2.564
local terms energy: -276.913826
where:
bonds (distance) C4'-P energy: -99.794
bonds (distance) P-C4' energy: -93.557
flat angles C4'-P-C4' energy: -46.590
flat angles P-C4'-P energy: -34.006
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1804.858459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.858459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.858459 (E_RNA)
where:
Base-Base interactions energy: -1229.531
where: short stacking energy: -526.141
Base-Backbone interact. energy: 1.234
local terms energy: -576.560957
where:
bonds (distance) C4'-P energy: -99.963
bonds (distance) P-C4' energy: -108.644
flat angles C4'-P-C4' energy: -120.845
flat angles P-C4'-P energy: -84.131
tors. eta vs tors. theta energy: -162.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1697.149468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.149468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.149468 (E_RNA)
where:
Base-Base interactions energy: -1153.699
where: short stacking energy: -500.501
Base-Backbone interact. energy: -0.767
local terms energy: -542.682874
where:
bonds (distance) C4'-P energy: -104.039
bonds (distance) P-C4' energy: -101.965
flat angles C4'-P-C4' energy: -117.301
flat angles P-C4'-P energy: -76.437
tors. eta vs tors. theta energy: -142.941
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: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1578.590945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.590945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.590945 (E_RNA)
where:
Base-Base interactions energy: -1071.176
where: short stacking energy: -474.912
Base-Backbone interact. energy: -2.280
local terms energy: -505.135712
where:
bonds (distance) C4'-P energy: -87.714
bonds (distance) P-C4' energy: -99.602
flat angles C4'-P-C4' energy: -113.247
flat angles P-C4'-P energy: -72.425
tors. eta vs tors. theta energy: -132.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1527.719341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.719341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.719341 (E_RNA)
where:
Base-Base interactions energy: -1024.329
where: short stacking energy: -420.729
Base-Backbone interact. energy: -3.445
local terms energy: -499.945037
where:
bonds (distance) C4'-P energy: -91.739
bonds (distance) P-C4' energy: -98.717
flat angles C4'-P-C4' energy: -117.588
flat angles P-C4'-P energy: -66.831
tors. eta vs tors. theta energy: -125.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1377.645603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.645603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.645603 (E_RNA)
where:
Base-Base interactions energy: -911.740
where: short stacking energy: -383.089
Base-Backbone interact. energy: 0.047
local terms energy: -465.952309
where:
bonds (distance) C4'-P energy: -93.158
bonds (distance) P-C4' energy: -102.075
flat angles C4'-P-C4' energy: -107.531
flat angles P-C4'-P energy: -55.783
tors. eta vs tors. theta energy: -107.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1310.266729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.266729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.266729 (E_RNA)
where:
Base-Base interactions energy: -888.572
where: short stacking energy: -369.283
Base-Backbone interact. energy: 2.620
local terms energy: -424.314041
where:
bonds (distance) C4'-P energy: -98.649
bonds (distance) P-C4' energy: -87.914
flat angles C4'-P-C4' energy: -98.884
flat angles P-C4'-P energy: -47.080
tors. eta vs tors. theta energy: -91.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1135.512435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.512435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.512435 (E_RNA)
where:
Base-Base interactions energy: -737.897
where: short stacking energy: -335.021
Base-Backbone interact. energy: -1.586
local terms energy: -396.029667
where:
bonds (distance) C4'-P energy: -76.226
bonds (distance) P-C4' energy: -92.612
flat angles C4'-P-C4' energy: -88.158
flat angles P-C4'-P energy: -58.004
tors. eta vs tors. theta energy: -81.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -964.159967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.159967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.159967 (E_RNA)
where:
Base-Base interactions energy: -597.144
where: short stacking energy: -289.625
Base-Backbone interact. energy: 0.627
local terms energy: -367.642465
where:
bonds (distance) C4'-P energy: -96.839
bonds (distance) P-C4' energy: -87.385
flat angles C4'-P-C4' energy: -79.093
flat angles P-C4'-P energy: -43.869
tors. eta vs tors. theta energy: -60.456
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: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -868.873828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.873828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.873828 (E_RNA)
where:
Base-Base interactions energy: -546.587
where: short stacking energy: -264.610
Base-Backbone interact. energy: -3.073
local terms energy: -319.213864
where:
bonds (distance) C4'-P energy: -75.414
bonds (distance) P-C4' energy: -80.840
flat angles C4'-P-C4' energy: -78.062
flat angles P-C4'-P energy: -41.282
tors. eta vs tors. theta energy: -43.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -535.781567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.781567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.781567 (E_RNA)
where:
Base-Base interactions energy: -267.762
where: short stacking energy: -130.852
Base-Backbone interact. energy: -1.793
local terms energy: -266.226398
where:
bonds (distance) C4'-P energy: -78.844
bonds (distance) P-C4' energy: -91.359
flat angles C4'-P-C4' energy: -67.080
flat angles P-C4'-P energy: -46.266
tors. eta vs tors. theta energy: 17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1796.540670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.540670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.540670 (E_RNA)
where:
Base-Base interactions energy: -1234.554
where: short stacking energy: -538.305
Base-Backbone interact. energy: -2.532
local terms energy: -559.454335
where:
bonds (distance) C4'-P energy: -102.946
bonds (distance) P-C4' energy: -97.395
flat angles C4'-P-C4' energy: -124.152
flat angles P-C4'-P energy: -73.151
tors. eta vs tors. theta energy: -161.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1694.377340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.377340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.377340 (E_RNA)
where:
Base-Base interactions energy: -1157.043
where: short stacking energy: -502.213
Base-Backbone interact. energy: -0.558
local terms energy: -536.777064
where:
bonds (distance) C4'-P energy: -102.937
bonds (distance) P-C4' energy: -95.697
flat angles C4'-P-C4' energy: -107.328
flat angles P-C4'-P energy: -84.777
tors. eta vs tors. theta energy: -146.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1602.978580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.978580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.978580 (E_RNA)
where:
Base-Base interactions energy: -1066.777
where: short stacking energy: -471.284
Base-Backbone interact. energy: -1.840
local terms energy: -534.361261
where:
bonds (distance) C4'-P energy: -103.238
bonds (distance) P-C4' energy: -107.770
flat angles C4'-P-C4' energy: -110.195
flat angles P-C4'-P energy: -69.380
tors. eta vs tors. theta energy: -143.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1538.168691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.168691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.168691 (E_RNA)
where:
Base-Base interactions energy: -1052.487
where: short stacking energy: -447.293
Base-Backbone interact. energy: -1.319
local terms energy: -484.362757
where:
bonds (distance) C4'-P energy: -84.575
bonds (distance) P-C4' energy: -110.480
flat angles C4'-P-C4' energy: -91.071
flat angles P-C4'-P energy: -71.598
tors. eta vs tors. theta energy: -126.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1334.067646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.067646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.067646 (E_RNA)
where:
Base-Base interactions energy: -877.283
where: short stacking energy: -373.990
Base-Backbone interact. energy: -2.895
local terms energy: -457.274418
where:
bonds (distance) C4'-P energy: -86.542
bonds (distance) P-C4' energy: -90.022
flat angles C4'-P-C4' energy: -97.369
flat angles P-C4'-P energy: -76.495
tors. eta vs tors. theta energy: -106.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.385 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1309.350148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.350148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.350148 (E_RNA)
where:
Base-Base interactions energy: -858.915
where: short stacking energy: -379.382
Base-Backbone interact. energy: 5.994
local terms energy: -456.428624
where:
bonds (distance) C4'-P energy: -82.163
bonds (distance) P-C4' energy: -96.547
flat angles C4'-P-C4' energy: -96.522
flat angles P-C4'-P energy: -74.352
tors. eta vs tors. theta energy: -106.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1204.184112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.184112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.184112 (E_RNA)
where:
Base-Base interactions energy: -797.459
where: short stacking energy: -374.142
Base-Backbone interact. energy: 1.639
local terms energy: -408.364634
where:
bonds (distance) C4'-P energy: -88.218
bonds (distance) P-C4' energy: -88.282
flat angles C4'-P-C4' energy: -97.800
flat angles P-C4'-P energy: -43.977
tors. eta vs tors. theta energy: -90.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -956.375119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.375119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.375119 (E_RNA)
where:
Base-Base interactions energy: -636.108
where: short stacking energy: -285.521
Base-Backbone interact. energy: 2.355
local terms energy: -322.622212
where:
bonds (distance) C4'-P energy: -85.194
bonds (distance) P-C4' energy: -70.331
flat angles C4'-P-C4' energy: -76.513
flat angles P-C4'-P energy: -38.386
tors. eta vs tors. theta energy: -52.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -836.885342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.885342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.885342 (E_RNA)
where:
Base-Base interactions energy: -503.831
where: short stacking energy: -243.654
Base-Backbone interact. energy: -2.158
local terms energy: -330.895585
where:
bonds (distance) C4'-P energy: -81.911
bonds (distance) P-C4' energy: -83.979
flat angles C4'-P-C4' energy: -72.876
flat angles P-C4'-P energy: -49.750
tors. eta vs tors. theta energy: -42.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -562.989659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.989659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.989659 (E_RNA)
where:
Base-Base interactions energy: -290.690
where: short stacking energy: -157.218
Base-Backbone interact. energy: 6.458
local terms energy: -278.757731
where:
bonds (distance) C4'-P energy: -75.171
bonds (distance) P-C4' energy: -90.010
flat angles C4'-P-C4' energy: -74.803
flat angles P-C4'-P energy: -36.668
tors. eta vs tors. theta energy: -2.105
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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1798.703550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.703550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.703550 (E_RNA)
where:
Base-Base interactions energy: -1240.664
where: short stacking energy: -524.866
Base-Backbone interact. energy: -2.506
local terms energy: -555.533373
where:
bonds (distance) C4'-P energy: -104.196
bonds (distance) P-C4' energy: -95.485
flat angles C4'-P-C4' energy: -117.602
flat angles P-C4'-P energy: -73.812
tors. eta vs tors. theta energy: -164.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1711.715814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.715814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.715814 (E_RNA)
where:
Base-Base interactions energy: -1188.438
where: short stacking energy: -498.271
Base-Backbone interact. energy: -2.825
local terms energy: -520.453261
where:
bonds (distance) C4'-P energy: -95.525
bonds (distance) P-C4' energy: -94.430
flat angles C4'-P-C4' energy: -114.400
flat angles P-C4'-P energy: -75.838
tors. eta vs tors. theta energy: -140.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1612.666777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.666777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.666777 (E_RNA)
where:
Base-Base interactions energy: -1090.695
where: short stacking energy: -460.290
Base-Backbone interact. energy: -1.031
local terms energy: -520.940754
where:
bonds (distance) C4'-P energy: -104.425
bonds (distance) P-C4' energy: -93.163
flat angles C4'-P-C4' energy: -109.694
flat angles P-C4'-P energy: -69.109
tors. eta vs tors. theta energy: -144.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1551.687558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.687558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.687558 (E_RNA)
where:
Base-Base interactions energy: -1049.401
where: short stacking energy: -427.101
Base-Backbone interact. energy: -3.001
local terms energy: -499.285355
where:
bonds (distance) C4'-P energy: -106.745
bonds (distance) P-C4' energy: -96.916
flat angles C4'-P-C4' energy: -100.679
flat angles P-C4'-P energy: -71.492
tors. eta vs tors. theta energy: -123.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1353.343027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.343027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.343027 (E_RNA)
where:
Base-Base interactions energy: -880.470
where: short stacking energy: -373.392
Base-Backbone interact. energy: 0.041
local terms energy: -472.913786
where:
bonds (distance) C4'-P energy: -96.462
bonds (distance) P-C4' energy: -86.856
flat angles C4'-P-C4' energy: -94.730
flat angles P-C4'-P energy: -79.428
tors. eta vs tors. theta energy: -115.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1297.135970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.135970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.135970 (E_RNA)
where:
Base-Base interactions energy: -858.712
where: short stacking energy: -383.932
Base-Backbone interact. energy: -1.649
local terms energy: -436.775058
where:
bonds (distance) C4'-P energy: -92.852
bonds (distance) P-C4' energy: -93.391
flat angles C4'-P-C4' energy: -90.687
flat angles P-C4'-P energy: -67.704
tors. eta vs tors. theta energy: -92.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1158.886824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.886824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.886824 (E_RNA)
where:
Base-Base interactions energy: -749.858
where: short stacking energy: -316.784
Base-Backbone interact. energy: -0.817
local terms energy: -408.211548
where:
bonds (distance) C4'-P energy: -88.470
bonds (distance) P-C4' energy: -96.041
flat angles C4'-P-C4' energy: -91.383
flat angles P-C4'-P energy: -54.823
tors. eta vs tors. theta energy: -77.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -909.796448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.796448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.796448 (E_RNA)
where:
Base-Base interactions energy: -551.865
where: short stacking energy: -247.357
Base-Backbone interact. energy: 0.204
local terms energy: -358.135472
where:
bonds (distance) C4'-P energy: -91.253
bonds (distance) P-C4' energy: -91.907
flat angles C4'-P-C4' energy: -72.516
flat angles P-C4'-P energy: -49.990
tors. eta vs tors. theta energy: -52.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -886.157991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.157991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.157991 (E_RNA)
where:
Base-Base interactions energy: -559.167
where: short stacking energy: -268.294
Base-Backbone interact. energy: -2.663
local terms energy: -324.327925
where:
bonds (distance) C4'-P energy: -85.169
bonds (distance) P-C4' energy: -82.290
flat angles C4'-P-C4' energy: -77.351
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -47.948
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: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -574.180500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.180500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.180500 (E_RNA)
where:
Base-Base interactions energy: -281.121
where: short stacking energy: -148.350
Base-Backbone interact. energy: 2.922
local terms energy: -295.980995
where:
bonds (distance) C4'-P energy: -67.067
bonds (distance) P-C4' energy: -94.015
flat angles C4'-P-C4' energy: -79.422
flat angles P-C4'-P energy: -48.472
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1801.841767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.841767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.841767 (E_RNA)
where:
Base-Base interactions energy: -1242.013
where: short stacking energy: -533.183
Base-Backbone interact. energy: 0.720
local terms energy: -560.548992
where:
bonds (distance) C4'-P energy: -115.600
bonds (distance) P-C4' energy: -101.629
flat angles C4'-P-C4' energy: -121.447
flat angles P-C4'-P energy: -61.692
tors. eta vs tors. theta energy: -160.181
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: 2, replica: 8
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1723.256282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.256282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.256282 (E_RNA)
where:
Base-Base interactions energy: -1179.560
where: short stacking energy: -496.374
Base-Backbone interact. energy: -0.321
local terms energy: -543.374785
where:
bonds (distance) C4'-P energy: -108.571
bonds (distance) P-C4' energy: -102.733
flat angles C4'-P-C4' energy: -117.951
flat angles P-C4'-P energy: -70.558
tors. eta vs tors. theta energy: -143.561
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: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1576.125628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.125628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.125628 (E_RNA)
where:
Base-Base interactions energy: -1063.344
where: short stacking energy: -480.152
Base-Backbone interact. energy: 0.028
local terms energy: -512.809781
where:
bonds (distance) C4'-P energy: -92.776
bonds (distance) P-C4' energy: -107.103
flat angles C4'-P-C4' energy: -102.202
flat angles P-C4'-P energy: -71.943
tors. eta vs tors. theta energy: -138.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1539.848134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.848134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.848134 (E_RNA)
where:
Base-Base interactions energy: -1053.846
where: short stacking energy: -465.203
Base-Backbone interact. energy: -1.619
local terms energy: -484.383458
where:
bonds (distance) C4'-P energy: -92.344
bonds (distance) P-C4' energy: -85.113
flat angles C4'-P-C4' energy: -98.420
flat angles P-C4'-P energy: -71.041
tors. eta vs tors. theta energy: -137.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1384.752368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.752368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.752368 (E_RNA)
where:
Base-Base interactions energy: -934.185
where: short stacking energy: -406.378
Base-Backbone interact. energy: -0.169
local terms energy: -450.868649
where:
bonds (distance) C4'-P energy: -98.229
bonds (distance) P-C4' energy: -95.987
flat angles C4'-P-C4' energy: -91.243
flat angles P-C4'-P energy: -53.399
tors. eta vs tors. theta energy: -112.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.470 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1256.750843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.750843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.750843 (E_RNA)
where:
Base-Base interactions energy: -826.492
where: short stacking energy: -377.254
Base-Backbone interact. energy: -0.760
local terms energy: -429.498935
where:
bonds (distance) C4'-P energy: -89.634
bonds (distance) P-C4' energy: -80.337
flat angles C4'-P-C4' energy: -92.101
flat angles P-C4'-P energy: -67.084
tors. eta vs tors. theta energy: -100.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1141.732147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.732147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.732147 (E_RNA)
where:
Base-Base interactions energy: -707.590
where: short stacking energy: -309.449
Base-Backbone interact. energy: -0.132
local terms energy: -434.010146
where:
bonds (distance) C4'-P energy: -99.500
bonds (distance) P-C4' energy: -99.953
flat angles C4'-P-C4' energy: -96.110
flat angles P-C4'-P energy: -65.204
tors. eta vs tors. theta energy: -73.243
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: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -925.013027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.013027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.013027 (E_RNA)
where:
Base-Base interactions energy: -552.172
where: short stacking energy: -267.972
Base-Backbone interact. energy: 0.416
local terms energy: -373.257013
where:
bonds (distance) C4'-P energy: -86.174
bonds (distance) P-C4' energy: -83.776
flat angles C4'-P-C4' energy: -89.385
flat angles P-C4'-P energy: -62.121
tors. eta vs tors. theta energy: -51.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -828.970797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.970797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.970797 (E_RNA)
where:
Base-Base interactions energy: -491.951
where: short stacking energy: -246.412
Base-Backbone interact. energy: -0.937
local terms energy: -336.082539
where:
bonds (distance) C4'-P energy: -87.483
bonds (distance) P-C4' energy: -78.044
flat angles C4'-P-C4' energy: -79.615
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -44.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -593.088519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.088519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.088519 (E_RNA)
where:
Base-Base interactions energy: -300.025
where: short stacking energy: -168.775
Base-Backbone interact. energy: 5.967
local terms energy: -299.029607
where:
bonds (distance) C4'-P energy: -79.229
bonds (distance) P-C4' energy: -96.350
flat angles C4'-P-C4' energy: -75.976
flat angles P-C4'-P energy: -32.299
tors. eta vs tors. theta energy: -15.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1786.632764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.632764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.632764 (E_RNA)
where:
Base-Base interactions energy: -1233.767
where: short stacking energy: -518.921
Base-Backbone interact. energy: -2.583
local terms energy: -550.282576
where:
bonds (distance) C4'-P energy: -106.252
bonds (distance) P-C4' energy: -103.874
flat angles C4'-P-C4' energy: -110.681
flat angles P-C4'-P energy: -70.101
tors. eta vs tors. theta energy: -159.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1714.813527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.813527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.813527 (E_RNA)
where:
Base-Base interactions energy: -1202.554
where: short stacking energy: -492.075
Base-Backbone interact. energy: -2.450
local terms energy: -509.809168
where:
bonds (distance) C4'-P energy: -95.357
bonds (distance) P-C4' energy: -96.036
flat angles C4'-P-C4' energy: -114.020
flat angles P-C4'-P energy: -59.877
tors. eta vs tors. theta energy: -144.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1593.068842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.068842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.068842 (E_RNA)
where:
Base-Base interactions energy: -1090.973
where: short stacking energy: -453.724
Base-Backbone interact. energy: 2.615
local terms energy: -504.710845
where:
bonds (distance) C4'-P energy: -78.754
bonds (distance) P-C4' energy: -102.570
flat angles C4'-P-C4' energy: -109.038
flat angles P-C4'-P energy: -74.163
tors. eta vs tors. theta energy: -140.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1550.800712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.800712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.800712 (E_RNA)
where:
Base-Base interactions energy: -1061.958
where: short stacking energy: -483.789
Base-Backbone interact. energy: -0.787
local terms energy: -488.055300
where:
bonds (distance) C4'-P energy: -95.923
bonds (distance) P-C4' energy: -92.504
flat angles C4'-P-C4' energy: -102.952
flat angles P-C4'-P energy: -59.989
tors. eta vs tors. theta energy: -136.688
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: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1361.926557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.926557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.926557 (E_RNA)
where:
Base-Base interactions energy: -882.672
where: short stacking energy: -396.945
Base-Backbone interact. energy: -3.292
local terms energy: -475.962713
where:
bonds (distance) C4'-P energy: -99.006
bonds (distance) P-C4' energy: -91.688
flat angles C4'-P-C4' energy: -104.049
flat angles P-C4'-P energy: -70.994
tors. eta vs tors. theta energy: -110.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1233.787143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.787143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.787143 (E_RNA)
where:
Base-Base interactions energy: -815.101
where: short stacking energy: -348.156
Base-Backbone interact. energy: -1.083
local terms energy: -417.604048
where:
bonds (distance) C4'-P energy: -77.943
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -87.663
flat angles P-C4'-P energy: -64.850
tors. eta vs tors. theta energy: -86.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1102.209636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.209636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.209636 (E_RNA)
where:
Base-Base interactions energy: -730.085
where: short stacking energy: -325.051
Base-Backbone interact. energy: -2.135
local terms energy: -369.990279
where:
bonds (distance) C4'-P energy: -66.690
bonds (distance) P-C4' energy: -96.245
flat angles C4'-P-C4' energy: -82.327
flat angles P-C4'-P energy: -56.098
tors. eta vs tors. theta energy: -68.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -873.229607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.229607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.229607 (E_RNA)
where:
Base-Base interactions energy: -531.514
where: short stacking energy: -259.922
Base-Backbone interact. energy: 1.591
local terms energy: -343.306617
where:
bonds (distance) C4'-P energy: -63.426
bonds (distance) P-C4' energy: -81.517
flat angles C4'-P-C4' energy: -92.119
flat angles P-C4'-P energy: -60.837
tors. eta vs tors. theta energy: -45.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -785.597229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.597229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.597229 (E_RNA)
where:
Base-Base interactions energy: -494.471
where: short stacking energy: -239.715
Base-Backbone interact. energy: 0.553
local terms energy: -291.679393
where:
bonds (distance) C4'-P energy: -76.297
bonds (distance) P-C4' energy: -76.543
flat angles C4'-P-C4' energy: -67.672
flat angles P-C4'-P energy: -43.904
tors. eta vs tors. theta energy: -27.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -630.061379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.061379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.061379 (E_RNA)
where:
Base-Base interactions energy: -338.577
where: short stacking energy: -180.328
Base-Backbone interact. energy: -0.402
local terms energy: -291.082787
where:
bonds (distance) C4'-P energy: -83.772
bonds (distance) P-C4' energy: -84.492
flat angles C4'-P-C4' energy: -78.640
flat angles P-C4'-P energy: -37.867
tors. eta vs tors. theta energy: -6.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1800.073245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.073245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.073245 (E_RNA)
where:
Base-Base interactions energy: -1215.833
where: short stacking energy: -519.268
Base-Backbone interact. energy: -1.364
local terms energy: -582.876203
where:
bonds (distance) C4'-P energy: -105.430
bonds (distance) P-C4' energy: -117.007
flat angles C4'-P-C4' energy: -108.383
flat angles P-C4'-P energy: -92.370
tors. eta vs tors. theta energy: -159.686
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: 8
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1725.749081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.749081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.749081 (E_RNA)
where:
Base-Base interactions energy: -1196.172
where: short stacking energy: -505.129
Base-Backbone interact. energy: -1.295
local terms energy: -528.282116
where:
bonds (distance) C4'-P energy: -91.727
bonds (distance) P-C4' energy: -102.023
flat angles C4'-P-C4' energy: -110.601
flat angles P-C4'-P energy: -79.391
tors. eta vs tors. theta energy: -144.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1581.274984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.274984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.274984 (E_RNA)
where:
Base-Base interactions energy: -1075.967
where: short stacking energy: -476.779
Base-Backbone interact. energy: -1.692
local terms energy: -503.616381
where:
bonds (distance) C4'-P energy: -81.047
bonds (distance) P-C4' energy: -102.573
flat angles C4'-P-C4' energy: -108.593
flat angles P-C4'-P energy: -65.326
tors. eta vs tors. theta energy: -146.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1570.713209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.713209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.713209 (E_RNA)
where:
Base-Base interactions energy: -1072.783
where: short stacking energy: -477.512
Base-Backbone interact. energy: -2.269
local terms energy: -495.661512
where:
bonds (distance) C4'-P energy: -78.166
bonds (distance) P-C4' energy: -107.628
flat angles C4'-P-C4' energy: -103.324
flat angles P-C4'-P energy: -68.333
tors. eta vs tors. theta energy: -138.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1361.591906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.591906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.591906 (E_RNA)
where:
Base-Base interactions energy: -891.205
where: short stacking energy: -381.524
Base-Backbone interact. energy: -3.750
local terms energy: -466.636873
where:
bonds (distance) C4'-P energy: -101.836
bonds (distance) P-C4' energy: -85.313
flat angles C4'-P-C4' energy: -115.249
flat angles P-C4'-P energy: -53.822
tors. eta vs tors. theta energy: -110.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1246.240913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.240913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.240913 (E_RNA)
where:
Base-Base interactions energy: -799.658
where: short stacking energy: -354.792
Base-Backbone interact. energy: -2.375
local terms energy: -444.207710
where:
bonds (distance) C4'-P energy: -88.071
bonds (distance) P-C4' energy: -108.609
flat angles C4'-P-C4' energy: -98.116
flat angles P-C4'-P energy: -66.742
tors. eta vs tors. theta energy: -82.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1155.676198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.676198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.676198 (E_RNA)
where:
Base-Base interactions energy: -723.035
where: short stacking energy: -314.498
Base-Backbone interact. energy: -0.950
local terms energy: -431.690605
where:
bonds (distance) C4'-P energy: -101.693
bonds (distance) P-C4' energy: -100.782
flat angles C4'-P-C4' energy: -97.207
flat angles P-C4'-P energy: -64.772
tors. eta vs tors. theta energy: -67.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -867.381734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.381734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.381734 (E_RNA)
where:
Base-Base interactions energy: -524.041
where: short stacking energy: -255.909
Base-Backbone interact. energy: 0.893
local terms energy: -344.233748
where:
bonds (distance) C4'-P energy: -77.219
bonds (distance) P-C4' energy: -89.901
flat angles C4'-P-C4' energy: -73.495
flat angles P-C4'-P energy: -56.715
tors. eta vs tors. theta energy: -46.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -676.140111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.140111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.140111 (E_RNA)
where:
Base-Base interactions energy: -345.351
where: short stacking energy: -175.682
Base-Backbone interact. energy: 4.306
local terms energy: -335.094762
where:
bonds (distance) C4'-P energy: -82.619
bonds (distance) P-C4' energy: -96.596
flat angles C4'-P-C4' energy: -78.751
flat angles P-C4'-P energy: -64.111
tors. eta vs tors. theta energy: -13.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -655.093651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.093651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.093651 (E_RNA)
where:
Base-Base interactions energy: -359.279
where: short stacking energy: -191.737
Base-Backbone interact. energy: 4.615
local terms energy: -300.429943
where:
bonds (distance) C4'-P energy: -73.446
bonds (distance) P-C4' energy: -94.639
flat angles C4'-P-C4' energy: -68.259
flat angles P-C4'-P energy: -48.651
tors. eta vs tors. theta energy: -15.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1798.724834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.724834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.724834 (E_RNA)
where:
Base-Base interactions energy: -1242.588
where: short stacking energy: -531.973
Base-Backbone interact. energy: 3.902
local terms energy: -560.038648
where:
bonds (distance) C4'-P energy: -103.368
bonds (distance) P-C4' energy: -96.738
flat angles C4'-P-C4' energy: -116.531
flat angles P-C4'-P energy: -83.501
tors. eta vs tors. theta energy: -159.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1718.970927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.970927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.970927 (E_RNA)
where:
Base-Base interactions energy: -1199.264
where: short stacking energy: -485.887
Base-Backbone interact. energy: -2.972
local terms energy: -516.735246
where:
bonds (distance) C4'-P energy: -105.963
bonds (distance) P-C4' energy: -99.530
flat angles C4'-P-C4' energy: -109.803
flat angles P-C4'-P energy: -67.210
tors. eta vs tors. theta energy: -134.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1580.377397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.377397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.377397 (E_RNA)
where:
Base-Base interactions energy: -1034.000
where: short stacking energy: -475.653
Base-Backbone interact. energy: -1.829
local terms energy: -544.548394
where:
bonds (distance) C4'-P energy: -108.260
bonds (distance) P-C4' energy: -102.789
flat angles C4'-P-C4' energy: -108.041
flat angles P-C4'-P energy: -83.337
tors. eta vs tors. theta energy: -142.122
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: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1526.271393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.271393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.271393 (E_RNA)
where:
Base-Base interactions energy: -1054.169
where: short stacking energy: -450.404
Base-Backbone interact. energy: -1.532
local terms energy: -470.569805
where:
bonds (distance) C4'-P energy: -78.065
bonds (distance) P-C4' energy: -90.268
flat angles C4'-P-C4' energy: -104.208
flat angles P-C4'-P energy: -70.299
tors. eta vs tors. theta energy: -127.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1382.992182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.992182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.992182 (E_RNA)
where:
Base-Base interactions energy: -907.746
where: short stacking energy: -381.235
Base-Backbone interact. energy: 0.893
local terms energy: -476.139670
where:
bonds (distance) C4'-P energy: -103.651
bonds (distance) P-C4' energy: -86.156
flat angles C4'-P-C4' energy: -107.227
flat angles P-C4'-P energy: -68.994
tors. eta vs tors. theta energy: -110.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1202.507891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.507891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.507891 (E_RNA)
where:
Base-Base interactions energy: -788.327
where: short stacking energy: -336.260
Base-Backbone interact. energy: 0.054
local terms energy: -414.234258
where:
bonds (distance) C4'-P energy: -91.754
bonds (distance) P-C4' energy: -83.491
flat angles C4'-P-C4' energy: -90.899
flat angles P-C4'-P energy: -70.367
tors. eta vs tors. theta energy: -77.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1131.782263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.782263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.782263 (E_RNA)
where:
Base-Base interactions energy: -732.297
where: short stacking energy: -331.368
Base-Backbone interact. energy: -1.815
local terms energy: -397.671119
where:
bonds (distance) C4'-P energy: -85.242
bonds (distance) P-C4' energy: -98.446
flat angles C4'-P-C4' energy: -92.300
flat angles P-C4'-P energy: -57.934
tors. eta vs tors. theta energy: -63.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -892.597633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.597633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.597633 (E_RNA)
where:
Base-Base interactions energy: -557.091
where: short stacking energy: -232.895
Base-Backbone interact. energy: -1.444
local terms energy: -334.062464
where:
bonds (distance) C4'-P energy: -81.991
bonds (distance) P-C4' energy: -94.809
flat angles C4'-P-C4' energy: -80.064
flat angles P-C4'-P energy: -42.170
tors. eta vs tors. theta energy: -35.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -728.016013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.016013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.016013 (E_RNA)
where:
Base-Base interactions energy: -395.172
where: short stacking energy: -197.921
Base-Backbone interact. energy: -0.153
local terms energy: -332.691034
where:
bonds (distance) C4'-P energy: -89.134
bonds (distance) P-C4' energy: -92.700
flat angles C4'-P-C4' energy: -76.562
flat angles P-C4'-P energy: -46.820
tors. eta vs tors. theta energy: -27.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -608.938035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.938035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.938035 (E_RNA)
where:
Base-Base interactions energy: -309.410
where: short stacking energy: -156.119
Base-Backbone interact. energy: -1.264
local terms energy: -298.263574
where:
bonds (distance) C4'-P energy: -88.874
bonds (distance) P-C4' energy: -90.269
flat angles C4'-P-C4' energy: -66.780
flat angles P-C4'-P energy: -42.822
tors. eta vs tors. theta energy: -9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1786.240042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.240042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.240042 (E_RNA)
where:
Base-Base interactions energy: -1232.776
where: short stacking energy: -545.681
Base-Backbone interact. energy: -1.978
local terms energy: -551.485861
where:
bonds (distance) C4'-P energy: -99.550
bonds (distance) P-C4' energy: -99.505
flat angles C4'-P-C4' energy: -111.055
flat angles P-C4'-P energy: -78.883
tors. eta vs tors. theta energy: -162.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1693.154828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.154828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.154828 (E_RNA)
where:
Base-Base interactions energy: -1182.514
where: short stacking energy: -493.746
Base-Backbone interact. energy: 3.256
local terms energy: -513.896694
where:
bonds (distance) C4'-P energy: -107.728
bonds (distance) P-C4' energy: -95.154
flat angles C4'-P-C4' energy: -112.563
flat angles P-C4'-P energy: -66.089
tors. eta vs tors. theta energy: -132.363
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: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1585.004236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.004236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.004236 (E_RNA)
where:
Base-Base interactions energy: -1080.978
where: short stacking energy: -465.482
Base-Backbone interact. energy: -1.001
local terms energy: -503.025122
where:
bonds (distance) C4'-P energy: -98.994
bonds (distance) P-C4' energy: -85.659
flat angles C4'-P-C4' energy: -113.268
flat angles P-C4'-P energy: -68.792
tors. eta vs tors. theta energy: -136.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1507.357642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.357642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.357642 (E_RNA)
where:
Base-Base interactions energy: -1018.547
where: short stacking energy: -460.171
Base-Backbone interact. energy: -3.170
local terms energy: -485.640752
where:
bonds (distance) C4'-P energy: -93.645
bonds (distance) P-C4' energy: -105.633
flat angles C4'-P-C4' energy: -92.830
flat angles P-C4'-P energy: -67.013
tors. eta vs tors. theta energy: -126.520
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: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1382.759376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.759376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.759376 (E_RNA)
where:
Base-Base interactions energy: -907.058
where: short stacking energy: -405.400
Base-Backbone interact. energy: 1.107
local terms energy: -476.808767
where:
bonds (distance) C4'-P energy: -85.891
bonds (distance) P-C4' energy: -96.152
flat angles C4'-P-C4' energy: -110.297
flat angles P-C4'-P energy: -71.739
tors. eta vs tors. theta energy: -112.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1288.711240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.711240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.711240 (E_RNA)
where:
Base-Base interactions energy: -857.189
where: short stacking energy: -375.463
Base-Backbone interact. energy: 0.479
local terms energy: -432.001474
where:
bonds (distance) C4'-P energy: -81.173
bonds (distance) P-C4' energy: -86.835
flat angles C4'-P-C4' energy: -96.098
flat angles P-C4'-P energy: -65.437
tors. eta vs tors. theta energy: -102.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1136.609503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.609503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.609503 (E_RNA)
where:
Base-Base interactions energy: -747.371
where: short stacking energy: -335.499
Base-Backbone interact. energy: 0.272
local terms energy: -389.510222
where:
bonds (distance) C4'-P energy: -74.038
bonds (distance) P-C4' energy: -81.913
flat angles C4'-P-C4' energy: -104.725
flat angles P-C4'-P energy: -57.373
tors. eta vs tors. theta energy: -71.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -928.777306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.777306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.777306 (E_RNA)
where:
Base-Base interactions energy: -584.736
where: short stacking energy: -265.912
Base-Backbone interact. energy: 5.577
local terms energy: -349.618139
where:
bonds (distance) C4'-P energy: -86.673
bonds (distance) P-C4' energy: -85.309
flat angles C4'-P-C4' energy: -84.307
flat angles P-C4'-P energy: -53.361
tors. eta vs tors. theta energy: -39.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -702.098200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.098200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.098200 (E_RNA)
where:
Base-Base interactions energy: -378.630
where: short stacking energy: -205.044
Base-Backbone interact. energy: 8.684
local terms energy: -332.151933
where:
bonds (distance) C4'-P energy: -80.380
bonds (distance) P-C4' energy: -94.652
flat angles C4'-P-C4' energy: -69.552
flat angles P-C4'-P energy: -54.631
tors. eta vs tors. theta energy: -32.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -589.040495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.040495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.040495 (E_RNA)
where:
Base-Base interactions energy: -303.320
where: short stacking energy: -176.341
Base-Backbone interact. energy: 0.213
local terms energy: -285.932648
where:
bonds (distance) C4'-P energy: -79.443
bonds (distance) P-C4' energy: -92.034
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -40.087
tors. eta vs tors. theta energy: -23.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1786.731721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.731721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.731721 (E_RNA)
where:
Base-Base interactions energy: -1248.387
where: short stacking energy: -524.054
Base-Backbone interact. energy: -0.749
local terms energy: -537.595127
where:
bonds (distance) C4'-P energy: -80.935
bonds (distance) P-C4' energy: -94.544
flat angles C4'-P-C4' energy: -127.890
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -154.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1708.672771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.672771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.672771 (E_RNA)
where:
Base-Base interactions energy: -1181.856
where: short stacking energy: -479.676
Base-Backbone interact. energy: 1.642
local terms energy: -528.459302
where:
bonds (distance) C4'-P energy: -103.776
bonds (distance) P-C4' energy: -98.404
flat angles C4'-P-C4' energy: -109.285
flat angles P-C4'-P energy: -75.326
tors. eta vs tors. theta energy: -141.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1562.791037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.791037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.791037 (E_RNA)
where:
Base-Base interactions energy: -1060.804
where: short stacking energy: -463.892
Base-Backbone interact. energy: -1.045
local terms energy: -500.942181
where:
bonds (distance) C4'-P energy: -95.023
bonds (distance) P-C4' energy: -100.210
flat angles C4'-P-C4' energy: -106.552
flat angles P-C4'-P energy: -71.073
tors. eta vs tors. theta energy: -128.084
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: 5
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1563.875993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.875993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.875993 (E_RNA)
where:
Base-Base interactions energy: -1035.794
where: short stacking energy: -439.423
Base-Backbone interact. energy: 1.705
local terms energy: -529.787168
where:
bonds (distance) C4'-P energy: -95.957
bonds (distance) P-C4' energy: -90.629
flat angles C4'-P-C4' energy: -115.963
flat angles P-C4'-P energy: -82.923
tors. eta vs tors. theta energy: -144.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1341.109977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.109977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.109977 (E_RNA)
where:
Base-Base interactions energy: -888.571
where: short stacking energy: -389.243
Base-Backbone interact. energy: -3.725
local terms energy: -448.814413
where:
bonds (distance) C4'-P energy: -96.832
bonds (distance) P-C4' energy: -85.133
flat angles C4'-P-C4' energy: -106.151
flat angles P-C4'-P energy: -59.676
tors. eta vs tors. theta energy: -101.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1272.720413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.720413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.720413 (E_RNA)
where:
Base-Base interactions energy: -854.376
where: short stacking energy: -374.552
Base-Backbone interact. energy: 0.668
local terms energy: -419.012139
where:
bonds (distance) C4'-P energy: -78.529
bonds (distance) P-C4' energy: -98.533
flat angles C4'-P-C4' energy: -92.231
flat angles P-C4'-P energy: -59.241
tors. eta vs tors. theta energy: -90.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1083.146444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.146444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.146444 (E_RNA)
where:
Base-Base interactions energy: -702.786
where: short stacking energy: -289.838
Base-Backbone interact. energy: -2.114
local terms energy: -378.246986
where:
bonds (distance) C4'-P energy: -73.970
bonds (distance) P-C4' energy: -94.615
flat angles C4'-P-C4' energy: -79.923
flat angles P-C4'-P energy: -62.959
tors. eta vs tors. theta energy: -66.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -966.580447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.580447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.580447 (E_RNA)
where:
Base-Base interactions energy: -598.171
where: short stacking energy: -279.104
Base-Backbone interact. energy: -1.343
local terms energy: -367.066930
where:
bonds (distance) C4'-P energy: -91.671
bonds (distance) P-C4' energy: -92.030
flat angles C4'-P-C4' energy: -84.316
flat angles P-C4'-P energy: -35.765
tors. eta vs tors. theta energy: -63.284
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: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -744.662394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.662394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.662394 (E_RNA)
where:
Base-Base interactions energy: -396.514
where: short stacking energy: -192.912
Base-Backbone interact. energy: 0.447
local terms energy: -348.595390
where:
bonds (distance) C4'-P energy: -80.520
bonds (distance) P-C4' energy: -74.554
flat angles C4'-P-C4' energy: -88.327
flat angles P-C4'-P energy: -67.372
tors. eta vs tors. theta energy: -37.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -591.691589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.691589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.691589 (E_RNA)
where:
Base-Base interactions energy: -308.227
where: short stacking energy: -179.181
Base-Backbone interact. energy: 1.248
local terms energy: -284.712720
where:
bonds (distance) C4'-P energy: -73.243
bonds (distance) P-C4' energy: -85.840
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -38.430
tors. eta vs tors. theta energy: -11.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1785.487936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.487936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.487936 (E_RNA)
where:
Base-Base interactions energy: -1209.656
where: short stacking energy: -522.358
Base-Backbone interact. energy: -1.960
local terms energy: -573.872159
where:
bonds (distance) C4'-P energy: -105.708
bonds (distance) P-C4' energy: -110.425
flat angles C4'-P-C4' energy: -117.253
flat angles P-C4'-P energy: -84.176
tors. eta vs tors. theta energy: -156.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1723.142650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.142650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.142650 (E_RNA)
where:
Base-Base interactions energy: -1182.681
where: short stacking energy: -480.234
Base-Backbone interact. energy: 1.286
local terms energy: -541.747820
where:
bonds (distance) C4'-P energy: -105.258
bonds (distance) P-C4' energy: -103.167
flat angles C4'-P-C4' energy: -108.163
flat angles P-C4'-P energy: -74.939
tors. eta vs tors. theta energy: -150.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1588.100183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.100183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.100183 (E_RNA)
where:
Base-Base interactions energy: -1077.085
where: short stacking energy: -465.795
Base-Backbone interact. energy: 1.127
local terms energy: -512.141817
where:
bonds (distance) C4'-P energy: -89.121
bonds (distance) P-C4' energy: -96.273
flat angles C4'-P-C4' energy: -115.930
flat angles P-C4'-P energy: -80.666
tors. eta vs tors. theta energy: -130.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1544.802738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.802738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.802738 (E_RNA)
where:
Base-Base interactions energy: -1043.448
where: short stacking energy: -462.003
Base-Backbone interact. energy: -1.780
local terms energy: -499.574685
where:
bonds (distance) C4'-P energy: -98.226
bonds (distance) P-C4' energy: -89.293
flat angles C4'-P-C4' energy: -103.224
flat angles P-C4'-P energy: -60.908
tors. eta vs tors. theta energy: -147.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1358.683542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.683542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.683542 (E_RNA)
where:
Base-Base interactions energy: -904.338
where: short stacking energy: -374.728
Base-Backbone interact. energy: -0.664
local terms energy: -455.117862
where:
bonds (distance) C4'-P energy: -94.022
bonds (distance) P-C4' energy: -93.040
flat angles C4'-P-C4' energy: -98.876
flat angles P-C4'-P energy: -62.691
tors. eta vs tors. theta energy: -106.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.436 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1287.238906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.238906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.238906 (E_RNA)
where:
Base-Base interactions energy: -836.001
where: short stacking energy: -361.167
Base-Backbone interact. energy: 0.498
local terms energy: -451.736405
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -105.912
flat angles C4'-P-C4' energy: -97.164
flat angles P-C4'-P energy: -57.270
tors. eta vs tors. theta energy: -97.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1117.926800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.926800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.926800 (E_RNA)
where:
Base-Base interactions energy: -695.414
where: short stacking energy: -326.924
Base-Backbone interact. energy: -1.310
local terms energy: -421.202307
where:
bonds (distance) C4'-P energy: -103.868
bonds (distance) P-C4' energy: -87.595
flat angles C4'-P-C4' energy: -88.866
flat angles P-C4'-P energy: -65.312
tors. eta vs tors. theta energy: -75.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1005.654936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.654936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.654936 (E_RNA)
where:
Base-Base interactions energy: -628.604
where: short stacking energy: -282.041
Base-Backbone interact. energy: 3.001
local terms energy: -380.051824
where:
bonds (distance) C4'-P energy: -95.071
bonds (distance) P-C4' energy: -90.201
flat angles C4'-P-C4' energy: -91.092
flat angles P-C4'-P energy: -60.432
tors. eta vs tors. theta energy: -43.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -774.383004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.383004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.383004 (E_RNA)
where:
Base-Base interactions energy: -453.217
where: short stacking energy: -235.601
Base-Backbone interact. energy: -2.060
local terms energy: -319.105644
where:
bonds (distance) C4'-P energy: -74.997
bonds (distance) P-C4' energy: -78.392
flat angles C4'-P-C4' energy: -70.752
flat angles P-C4'-P energy: -55.073
tors. eta vs tors. theta energy: -39.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -572.366146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.366146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.366146 (E_RNA)
where:
Base-Base interactions energy: -295.608
where: short stacking energy: -165.935
Base-Backbone interact. energy: -0.712
local terms energy: -276.046350
where:
bonds (distance) C4'-P energy: -85.086
bonds (distance) P-C4' energy: -77.772
flat angles C4'-P-C4' energy: -71.110
flat angles P-C4'-P energy: -40.073
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1796.891969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.891969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.891969 (E_RNA)
where:
Base-Base interactions energy: -1220.577
where: short stacking energy: -521.204
Base-Backbone interact. energy: -1.399
local terms energy: -574.915030
where:
bonds (distance) C4'-P energy: -106.855
bonds (distance) P-C4' energy: -105.628
flat angles C4'-P-C4' energy: -122.317
flat angles P-C4'-P energy: -75.794
tors. eta vs tors. theta energy: -164.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1727.084823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.084823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.084823 (E_RNA)
where:
Base-Base interactions energy: -1188.583
where: short stacking energy: -496.304
Base-Backbone interact. energy: -0.920
local terms energy: -537.581815
where:
bonds (distance) C4'-P energy: -92.369
bonds (distance) P-C4' energy: -106.039
flat angles C4'-P-C4' energy: -112.268
flat angles P-C4'-P energy: -76.095
tors. eta vs tors. theta energy: -150.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1575.168057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.168057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.168057 (E_RNA)
where:
Base-Base interactions energy: -1071.881
where: short stacking energy: -474.061
Base-Backbone interact. energy: -0.017
local terms energy: -503.269950
where:
bonds (distance) C4'-P energy: -102.395
bonds (distance) P-C4' energy: -98.654
flat angles C4'-P-C4' energy: -106.817
flat angles P-C4'-P energy: -58.308
tors. eta vs tors. theta energy: -137.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1556.578599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.578599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.578599 (E_RNA)
where:
Base-Base interactions energy: -1057.985
where: short stacking energy: -461.224
Base-Backbone interact. energy: -2.797
local terms energy: -495.797165
where:
bonds (distance) C4'-P energy: -80.209
bonds (distance) P-C4' energy: -93.313
flat angles C4'-P-C4' energy: -116.571
flat angles P-C4'-P energy: -60.402
tors. eta vs tors. theta energy: -145.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1401.662860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.662860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.662860 (E_RNA)
where:
Base-Base interactions energy: -955.852
where: short stacking energy: -415.212
Base-Backbone interact. energy: -2.738
local terms energy: -443.073277
where:
bonds (distance) C4'-P energy: -85.416
bonds (distance) P-C4' energy: -97.211
flat angles C4'-P-C4' energy: -95.383
flat angles P-C4'-P energy: -49.825
tors. eta vs tors. theta energy: -115.238
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: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1263.329561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.329561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.329561 (E_RNA)
where:
Base-Base interactions energy: -814.175
where: short stacking energy: -377.329
Base-Backbone interact. energy: 2.802
local terms energy: -451.956207
where:
bonds (distance) C4'-P energy: -93.396
bonds (distance) P-C4' energy: -94.893
flat angles C4'-P-C4' energy: -100.109
flat angles P-C4'-P energy: -58.985
tors. eta vs tors. theta energy: -104.572
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: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1064.939952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.939952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.939952 (E_RNA)
where:
Base-Base interactions energy: -674.649
where: short stacking energy: -324.086
Base-Backbone interact. energy: -0.524
local terms energy: -389.767217
where:
bonds (distance) C4'-P energy: -77.077
bonds (distance) P-C4' energy: -85.331
flat angles C4'-P-C4' energy: -101.779
flat angles P-C4'-P energy: -56.612
tors. eta vs tors. theta energy: -68.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -993.711727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.711727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.711727 (E_RNA)
where:
Base-Base interactions energy: -609.121
where: short stacking energy: -300.168
Base-Backbone interact. energy: -2.874
local terms energy: -381.716622
where:
bonds (distance) C4'-P energy: -89.739
bonds (distance) P-C4' energy: -82.268
flat angles C4'-P-C4' energy: -86.466
flat angles P-C4'-P energy: -59.238
tors. eta vs tors. theta energy: -64.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -721.668975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.668975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.668975 (E_RNA)
where:
Base-Base interactions energy: -419.003
where: short stacking energy: -210.329
Base-Backbone interact. energy: 1.691
local terms energy: -304.356427
where:
bonds (distance) C4'-P energy: -84.917
bonds (distance) P-C4' energy: -78.162
flat angles C4'-P-C4' energy: -92.381
flat angles P-C4'-P energy: -32.311
tors. eta vs tors. theta energy: -16.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -627.997511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.997511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.997511 (E_RNA)
where:
Base-Base interactions energy: -333.445
where: short stacking energy: -188.073
Base-Backbone interact. energy: -0.316
local terms energy: -294.236948
where:
bonds (distance) C4'-P energy: -84.834
bonds (distance) P-C4' energy: -80.051
flat angles C4'-P-C4' energy: -69.329
flat angles P-C4'-P energy: -35.891
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1797.041049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.041049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.041049 (E_RNA)
where:
Base-Base interactions energy: -1225.550
where: short stacking energy: -519.391
Base-Backbone interact. energy: -0.152
local terms energy: -571.339464
where:
bonds (distance) C4'-P energy: -111.493
bonds (distance) P-C4' energy: -101.168
flat angles C4'-P-C4' energy: -117.925
flat angles P-C4'-P energy: -85.160
tors. eta vs tors. theta energy: -155.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1692.030100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.030100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.030100 (E_RNA)
where:
Base-Base interactions energy: -1200.954
where: short stacking energy: -496.487
Base-Backbone interact. energy: -4.011
local terms energy: -487.064762
where:
bonds (distance) C4'-P energy: -88.844
bonds (distance) P-C4' energy: -93.593
flat angles C4'-P-C4' energy: -105.641
flat angles P-C4'-P energy: -65.640
tors. eta vs tors. theta energy: -133.347
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: 3, replica: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1540.323373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.323373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.323373 (E_RNA)
where:
Base-Base interactions energy: -1040.475
where: short stacking energy: -444.782
Base-Backbone interact. energy: -2.358
local terms energy: -497.490147
where:
bonds (distance) C4'-P energy: -102.460
bonds (distance) P-C4' energy: -105.018
flat angles C4'-P-C4' energy: -96.612
flat angles P-C4'-P energy: -60.156
tors. eta vs tors. theta energy: -133.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1527.502142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.502142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.502142 (E_RNA)
where:
Base-Base interactions energy: -1048.401
where: short stacking energy: -455.892
Base-Backbone interact. energy: -0.153
local terms energy: -478.947533
where:
bonds (distance) C4'-P energy: -89.489
bonds (distance) P-C4' energy: -81.854
flat angles C4'-P-C4' energy: -105.415
flat angles P-C4'-P energy: -77.493
tors. eta vs tors. theta energy: -124.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1381.303078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.303078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.303078 (E_RNA)
where:
Base-Base interactions energy: -922.461
where: short stacking energy: -404.044
Base-Backbone interact. energy: -2.355
local terms energy: -456.487464
where:
bonds (distance) C4'-P energy: -83.496
bonds (distance) P-C4' energy: -93.627
flat angles C4'-P-C4' energy: -96.689
flat angles P-C4'-P energy: -67.834
tors. eta vs tors. theta energy: -114.842
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: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1266.257273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.257273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.257273 (E_RNA)
where:
Base-Base interactions energy: -841.041
where: short stacking energy: -380.639
Base-Backbone interact. energy: -1.235
local terms energy: -423.980536
where:
bonds (distance) C4'-P energy: -90.118
bonds (distance) P-C4' energy: -87.622
flat angles C4'-P-C4' energy: -96.554
flat angles P-C4'-P energy: -57.584
tors. eta vs tors. theta energy: -92.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1095.334083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.334083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.334083 (E_RNA)
where:
Base-Base interactions energy: -692.577
where: short stacking energy: -304.854
Base-Backbone interact. energy: -1.131
local terms energy: -401.625694
where:
bonds (distance) C4'-P energy: -80.542
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -87.640
flat angles P-C4'-P energy: -83.948
tors. eta vs tors. theta energy: -69.878
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: 408
Temperature: 1.250000
Total energy: -972.027447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.027447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.027447 (E_RNA)
where:
Base-Base interactions energy: -599.547
where: short stacking energy: -284.777
Base-Backbone interact. energy: -3.414
local terms energy: -369.065931
where:
bonds (distance) C4'-P energy: -84.484
bonds (distance) P-C4' energy: -89.424
flat angles C4'-P-C4' energy: -81.893
flat angles P-C4'-P energy: -53.635
tors. eta vs tors. theta energy: -59.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -665.676530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.676530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.676530 (E_RNA)
where:
Base-Base interactions energy: -365.719
where: short stacking energy: -186.041
Base-Backbone interact. energy: 1.159
local terms energy: -301.117162
where:
bonds (distance) C4'-P energy: -83.663
bonds (distance) P-C4' energy: -77.199
flat angles C4'-P-C4' energy: -69.988
flat angles P-C4'-P energy: -51.146
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -595.102762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.102762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.102762 (E_RNA)
where:
Base-Base interactions energy: -313.358
where: short stacking energy: -163.298
Base-Backbone interact. energy: 1.916
local terms energy: -283.660294
where:
bonds (distance) C4'-P energy: -66.073
bonds (distance) P-C4' energy: -100.308
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -45.014
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1817.888172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.888172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.888172 (E_RNA)
where:
Base-Base interactions energy: -1254.272
where: short stacking energy: -542.825
Base-Backbone interact. energy: -2.165
local terms energy: -561.451132
where:
bonds (distance) C4'-P energy: -100.548
bonds (distance) P-C4' energy: -102.679
flat angles C4'-P-C4' energy: -115.924
flat angles P-C4'-P energy: -85.589
tors. eta vs tors. theta energy: -156.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1694.300830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.300830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.300830 (E_RNA)
where:
Base-Base interactions energy: -1166.387
where: short stacking energy: -479.965
Base-Backbone interact. energy: 0.521
local terms energy: -528.434442
where:
bonds (distance) C4'-P energy: -102.982
bonds (distance) P-C4' energy: -97.776
flat angles C4'-P-C4' energy: -119.942
flat angles P-C4'-P energy: -64.013
tors. eta vs tors. theta energy: -143.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1542.644662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.644662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.644662 (E_RNA)
where:
Base-Base interactions energy: -1052.723
where: short stacking energy: -449.686
Base-Backbone interact. energy: -2.036
local terms energy: -487.885534
where:
bonds (distance) C4'-P energy: -99.086
bonds (distance) P-C4' energy: -97.285
flat angles C4'-P-C4' energy: -101.810
flat angles P-C4'-P energy: -64.319
tors. eta vs tors. theta energy: -125.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1513.747306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.747306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.747306 (E_RNA)
where:
Base-Base interactions energy: -1013.152
where: short stacking energy: -433.803
Base-Backbone interact. energy: -1.918
local terms energy: -498.677169
where:
bonds (distance) C4'-P energy: -100.494
bonds (distance) P-C4' energy: -87.482
flat angles C4'-P-C4' energy: -113.241
flat angles P-C4'-P energy: -61.332
tors. eta vs tors. theta energy: -136.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1446.387143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.387143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.387143 (E_RNA)
where:
Base-Base interactions energy: -977.362
where: short stacking energy: -421.160
Base-Backbone interact. energy: -1.460
local terms energy: -467.564830
where:
bonds (distance) C4'-P energy: -90.985
bonds (distance) P-C4' energy: -76.441
flat angles C4'-P-C4' energy: -117.508
flat angles P-C4'-P energy: -53.533
tors. eta vs tors. theta energy: -129.098
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: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1257.657212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.657212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.657212 (E_RNA)
where:
Base-Base interactions energy: -817.547
where: short stacking energy: -364.681
Base-Backbone interact. energy: 1.415
local terms energy: -441.525940
where:
bonds (distance) C4'-P energy: -87.054
bonds (distance) P-C4' energy: -99.021
flat angles C4'-P-C4' energy: -101.089
flat angles P-C4'-P energy: -68.048
tors. eta vs tors. theta energy: -86.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1105.026508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.026508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.026508 (E_RNA)
where:
Base-Base interactions energy: -704.532
where: short stacking energy: -328.270
Base-Backbone interact. energy: -2.749
local terms energy: -397.744957
where:
bonds (distance) C4'-P energy: -74.326
bonds (distance) P-C4' energy: -75.707
flat angles C4'-P-C4' energy: -109.725
flat angles P-C4'-P energy: -77.824
tors. eta vs tors. theta energy: -60.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -965.035884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.035884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.035884 (E_RNA)
where:
Base-Base interactions energy: -603.116
where: short stacking energy: -307.183
Base-Backbone interact. energy: 0.406
local terms energy: -362.324925
where:
bonds (distance) C4'-P energy: -76.620
bonds (distance) P-C4' energy: -78.528
flat angles C4'-P-C4' energy: -80.484
flat angles P-C4'-P energy: -61.623
tors. eta vs tors. theta energy: -65.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -720.228603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.228603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.228603 (E_RNA)
where:
Base-Base interactions energy: -366.421
where: short stacking energy: -202.088
Base-Backbone interact. energy: 0.264
local terms energy: -354.071839
where:
bonds (distance) C4'-P energy: -69.722
bonds (distance) P-C4' energy: -101.636
flat angles C4'-P-C4' energy: -86.886
flat angles P-C4'-P energy: -50.535
tors. eta vs tors. theta energy: -45.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -603.191617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.191617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.191617 (E_RNA)
where:
Base-Base interactions energy: -316.703
where: short stacking energy: -165.207
Base-Backbone interact. energy: -0.109
local terms energy: -286.380170
where:
bonds (distance) C4'-P energy: -66.649
bonds (distance) P-C4' energy: -97.981
flat angles C4'-P-C4' energy: -78.525
flat angles P-C4'-P energy: -36.163
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1836.891130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.891130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.891130 (E_RNA)
where:
Base-Base interactions energy: -1260.437
where: short stacking energy: -539.039
Base-Backbone interact. energy: 0.390
local terms energy: -576.843848
where:
bonds (distance) C4'-P energy: -106.478
bonds (distance) P-C4' energy: -105.949
flat angles C4'-P-C4' energy: -122.251
flat angles P-C4'-P energy: -76.140
tors. eta vs tors. theta energy: -166.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1715.394531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.394531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.394531 (E_RNA)
where:
Base-Base interactions energy: -1162.405
where: short stacking energy: -499.931
Base-Backbone interact. energy: -0.192
local terms energy: -552.797575
where:
bonds (distance) C4'-P energy: -99.637
bonds (distance) P-C4' energy: -118.519
flat angles C4'-P-C4' energy: -117.161
flat angles P-C4'-P energy: -72.117
tors. eta vs tors. theta energy: -145.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1552.016462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.016462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.016462 (E_RNA)
where:
Base-Base interactions energy: -1030.948
where: short stacking energy: -455.665
Base-Backbone interact. energy: -2.797
local terms energy: -518.271102
where:
bonds (distance) C4'-P energy: -102.693
bonds (distance) P-C4' energy: -109.519
flat angles C4'-P-C4' energy: -111.139
flat angles P-C4'-P energy: -63.046
tors. eta vs tors. theta energy: -131.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1488.721456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.721456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.721456 (E_RNA)
where:
Base-Base interactions energy: -996.614
where: short stacking energy: -426.566
Base-Backbone interact. energy: -3.128
local terms energy: -488.979032
where:
bonds (distance) C4'-P energy: -84.343
bonds (distance) P-C4' energy: -100.550
flat angles C4'-P-C4' energy: -109.850
flat angles P-C4'-P energy: -72.482
tors. eta vs tors. theta energy: -121.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1488.226898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.226898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.226898 (E_RNA)
where:
Base-Base interactions energy: -1013.718
where: short stacking energy: -432.659
Base-Backbone interact. energy: -1.244
local terms energy: -473.265608
where:
bonds (distance) C4'-P energy: -89.472
bonds (distance) P-C4' energy: -98.162
flat angles C4'-P-C4' energy: -98.313
flat angles P-C4'-P energy: -59.591
tors. eta vs tors. theta energy: -127.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1278.578653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.578653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.578653 (E_RNA)
where:
Base-Base interactions energy: -850.013
where: short stacking energy: -399.453
Base-Backbone interact. energy: 0.292
local terms energy: -428.857561
where:
bonds (distance) C4'-P energy: -90.712
bonds (distance) P-C4' energy: -78.682
flat angles C4'-P-C4' energy: -94.426
flat angles P-C4'-P energy: -67.440
tors. eta vs tors. theta energy: -97.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1169.643211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.643211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.643211 (E_RNA)
where:
Base-Base interactions energy: -744.087
where: short stacking energy: -342.334
Base-Backbone interact. energy: -1.559
local terms energy: -423.997618
where:
bonds (distance) C4'-P energy: -106.772
bonds (distance) P-C4' energy: -87.283
flat angles C4'-P-C4' energy: -95.259
flat angles P-C4'-P energy: -61.625
tors. eta vs tors. theta energy: -73.058
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: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -965.771497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.771497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.771497 (E_RNA)
where:
Base-Base interactions energy: -564.869
where: short stacking energy: -272.879
Base-Backbone interact. energy: -3.780
local terms energy: -397.123100
where:
bonds (distance) C4'-P energy: -94.244
bonds (distance) P-C4' energy: -82.257
flat angles C4'-P-C4' energy: -94.663
flat angles P-C4'-P energy: -54.995
tors. eta vs tors. theta energy: -70.965
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: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -706.823495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.823495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.823495 (E_RNA)
where:
Base-Base interactions energy: -371.326
where: short stacking energy: -192.537
Base-Backbone interact. energy: -0.594
local terms energy: -334.903980
where:
bonds (distance) C4'-P energy: -81.549
bonds (distance) P-C4' energy: -97.212
flat angles C4'-P-C4' energy: -76.001
flat angles P-C4'-P energy: -56.578
tors. eta vs tors. theta energy: -23.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -628.225061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.225061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.225061 (E_RNA)
where:
Base-Base interactions energy: -326.091
where: short stacking energy: -159.064
Base-Backbone interact. energy: -0.836
local terms energy: -301.297739
where:
bonds (distance) C4'-P energy: -75.833
bonds (distance) P-C4' energy: -94.477
flat angles C4'-P-C4' energy: -92.628
flat angles P-C4'-P energy: -37.148
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1807.151245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.151245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.151245 (E_RNA)
where:
Base-Base interactions energy: -1244.838
where: short stacking energy: -522.760
Base-Backbone interact. energy: -1.022
local terms energy: -561.291409
where:
bonds (distance) C4'-P energy: -99.857
bonds (distance) P-C4' energy: -104.550
flat angles C4'-P-C4' energy: -124.079
flat angles P-C4'-P energy: -76.637
tors. eta vs tors. theta energy: -156.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1680.708650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.708650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.708650 (E_RNA)
where:
Base-Base interactions energy: -1172.309
where: short stacking energy: -484.243
Base-Backbone interact. energy: -2.482
local terms energy: -505.917601
where:
bonds (distance) C4'-P energy: -105.299
bonds (distance) P-C4' energy: -95.592
flat angles C4'-P-C4' energy: -103.950
flat angles P-C4'-P energy: -63.965
tors. eta vs tors. theta energy: -137.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1600.127859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.127859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.127859 (E_RNA)
where:
Base-Base interactions energy: -1076.270
where: short stacking energy: -466.516
Base-Backbone interact. energy: -1.726
local terms energy: -522.131747
where:
bonds (distance) C4'-P energy: -101.020
bonds (distance) P-C4' energy: -100.702
flat angles C4'-P-C4' energy: -112.118
flat angles P-C4'-P energy: -64.322
tors. eta vs tors. theta energy: -143.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1486.070873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.070873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.070873 (E_RNA)
where:
Base-Base interactions energy: -1007.572
where: short stacking energy: -448.012
Base-Backbone interact. energy: -3.290
local terms energy: -475.208996
where:
bonds (distance) C4'-P energy: -79.223
bonds (distance) P-C4' energy: -82.160
flat angles C4'-P-C4' energy: -107.564
flat angles P-C4'-P energy: -81.094
tors. eta vs tors. theta energy: -125.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1423.309713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.309713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.309713 (E_RNA)
where:
Base-Base interactions energy: -972.482
where: short stacking energy: -407.228
Base-Backbone interact. energy: -3.073
local terms energy: -447.754841
where:
bonds (distance) C4'-P energy: -82.625
bonds (distance) P-C4' energy: -86.658
flat angles C4'-P-C4' energy: -105.678
flat angles P-C4'-P energy: -52.098
tors. eta vs tors. theta energy: -120.696
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: 9
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1243.571932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.571932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.571932 (E_RNA)
where:
Base-Base interactions energy: -814.626
where: short stacking energy: -342.383
Base-Backbone interact. energy: -1.386
local terms energy: -427.560189
where:
bonds (distance) C4'-P energy: -71.164
bonds (distance) P-C4' energy: -97.669
flat angles C4'-P-C4' energy: -96.205
flat angles P-C4'-P energy: -70.627
tors. eta vs tors. theta energy: -91.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1110.472127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.472127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.472127 (E_RNA)
where:
Base-Base interactions energy: -739.032
where: short stacking energy: -325.811
Base-Backbone interact. energy: 2.065
local terms energy: -373.505267
where:
bonds (distance) C4'-P energy: -88.848
bonds (distance) P-C4' energy: -69.930
flat angles C4'-P-C4' energy: -91.561
flat angles P-C4'-P energy: -74.118
tors. eta vs tors. theta energy: -49.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -928.616205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.616205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.616205 (E_RNA)
where:
Base-Base interactions energy: -558.962
where: short stacking energy: -266.301
Base-Backbone interact. energy: -1.266
local terms energy: -368.387764
where:
bonds (distance) C4'-P energy: -80.543
bonds (distance) P-C4' energy: -84.493
flat angles C4'-P-C4' energy: -98.376
flat angles P-C4'-P energy: -56.127
tors. eta vs tors. theta energy: -48.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -694.432604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.432604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.432604 (E_RNA)
where:
Base-Base interactions energy: -407.527
where: short stacking energy: -212.051
Base-Backbone interact. energy: -2.134
local terms energy: -284.771074
where:
bonds (distance) C4'-P energy: -73.631
bonds (distance) P-C4' energy: -75.510
flat angles C4'-P-C4' energy: -75.736
flat angles P-C4'-P energy: -45.279
tors. eta vs tors. theta energy: -14.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -659.669953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.669953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.669953 (E_RNA)
where:
Base-Base interactions energy: -352.269
where: short stacking energy: -160.308
Base-Backbone interact. energy: -1.114
local terms energy: -306.287194
where:
bonds (distance) C4'-P energy: -92.738
bonds (distance) P-C4' energy: -77.469
flat angles C4'-P-C4' energy: -73.788
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -15.343
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: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1811.812503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.812503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.812503 (E_RNA)
where:
Base-Base interactions energy: -1251.994
where: short stacking energy: -530.027
Base-Backbone interact. energy: -1.148
local terms energy: -558.670733
where:
bonds (distance) C4'-P energy: -97.128
bonds (distance) P-C4' energy: -100.541
flat angles C4'-P-C4' energy: -125.845
flat angles P-C4'-P energy: -73.028
tors. eta vs tors. theta energy: -162.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1712.450739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.450739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.450739 (E_RNA)
where:
Base-Base interactions energy: -1176.159
where: short stacking energy: -473.421
Base-Backbone interact. energy: 1.944
local terms energy: -538.235640
where:
bonds (distance) C4'-P energy: -107.168
bonds (distance) P-C4' energy: -99.714
flat angles C4'-P-C4' energy: -115.346
flat angles P-C4'-P energy: -77.797
tors. eta vs tors. theta energy: -138.211
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: 412
Temperature: 1.000000
Total energy: -1560.704379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.704379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.704379 (E_RNA)
where:
Base-Base interactions energy: -1039.498
where: short stacking energy: -452.663
Base-Backbone interact. energy: -1.610
local terms energy: -519.596633
where:
bonds (distance) C4'-P energy: -94.915
bonds (distance) P-C4' energy: -94.393
flat angles C4'-P-C4' energy: -111.675
flat angles P-C4'-P energy: -82.320
tors. eta vs tors. theta energy: -136.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1510.432551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.432551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.432551 (E_RNA)
where:
Base-Base interactions energy: -1021.250
where: short stacking energy: -470.311
Base-Backbone interact. energy: -1.810
local terms energy: -487.372120
where:
bonds (distance) C4'-P energy: -101.376
bonds (distance) P-C4' energy: -85.484
flat angles C4'-P-C4' energy: -98.513
flat angles P-C4'-P energy: -64.187
tors. eta vs tors. theta energy: -137.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1369.029165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.029165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.029165 (E_RNA)
where:
Base-Base interactions energy: -911.235
where: short stacking energy: -384.355
Base-Backbone interact. energy: -4.030
local terms energy: -453.764113
where:
bonds (distance) C4'-P energy: -84.521
bonds (distance) P-C4' energy: -96.505
flat angles C4'-P-C4' energy: -104.158
flat angles P-C4'-P energy: -63.980
tors. eta vs tors. theta energy: -104.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1263.629327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.629327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.629327 (E_RNA)
where:
Base-Base interactions energy: -840.082
where: short stacking energy: -374.046
Base-Backbone interact. energy: 2.817
local terms energy: -426.363833
where:
bonds (distance) C4'-P energy: -72.449
bonds (distance) P-C4' energy: -98.913
flat angles C4'-P-C4' energy: -104.873
flat angles P-C4'-P energy: -64.211
tors. eta vs tors. theta energy: -85.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1087.228364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.228364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.228364 (E_RNA)
where:
Base-Base interactions energy: -694.236
where: short stacking energy: -316.425
Base-Backbone interact. energy: -0.380
local terms energy: -392.612847
where:
bonds (distance) C4'-P energy: -89.525
bonds (distance) P-C4' energy: -84.784
flat angles C4'-P-C4' energy: -99.808
flat angles P-C4'-P energy: -55.026
tors. eta vs tors. theta energy: -63.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -977.530512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.530512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.530512 (E_RNA)
where:
Base-Base interactions energy: -596.182
where: short stacking energy: -270.486
Base-Backbone interact. energy: -2.366
local terms energy: -378.981594
where:
bonds (distance) C4'-P energy: -90.188
bonds (distance) P-C4' energy: -88.959
flat angles C4'-P-C4' energy: -94.093
flat angles P-C4'-P energy: -51.083
tors. eta vs tors. theta energy: -54.659
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: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -745.557580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.557580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.557580 (E_RNA)
where:
Base-Base interactions energy: -419.076
where: short stacking energy: -202.170
Base-Backbone interact. energy: 0.559
local terms energy: -327.040912
where:
bonds (distance) C4'-P energy: -78.224
bonds (distance) P-C4' energy: -84.246
flat angles C4'-P-C4' energy: -80.311
flat angles P-C4'-P energy: -58.281
tors. eta vs tors. theta energy: -25.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -642.589943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.589943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.589943 (E_RNA)
where:
Base-Base interactions energy: -329.083
where: short stacking energy: -161.544
Base-Backbone interact. energy: 2.189
local terms energy: -315.695681
where:
bonds (distance) C4'-P energy: -74.040
bonds (distance) P-C4' energy: -94.740
flat angles C4'-P-C4' energy: -88.877
flat angles P-C4'-P energy: -47.657
tors. eta vs tors. theta energy: -10.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1838.376174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.376174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.376174 (E_RNA)
where:
Base-Base interactions energy: -1257.906
where: short stacking energy: -545.950
Base-Backbone interact. energy: 1.293
local terms energy: -581.763928
where:
bonds (distance) C4'-P energy: -104.680
bonds (distance) P-C4' energy: -109.547
flat angles C4'-P-C4' energy: -116.523
flat angles P-C4'-P energy: -83.511
tors. eta vs tors. theta energy: -167.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1699.093089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.093089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.093089 (E_RNA)
where:
Base-Base interactions energy: -1182.867
where: short stacking energy: -501.273
Base-Backbone interact. energy: -1.183
local terms energy: -515.043689
where:
bonds (distance) C4'-P energy: -88.964
bonds (distance) P-C4' energy: -97.551
flat angles C4'-P-C4' energy: -109.901
flat angles P-C4'-P energy: -71.201
tors. eta vs tors. theta energy: -147.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1549.034809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.034809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.034809 (E_RNA)
where:
Base-Base interactions energy: -1040.863
where: short stacking energy: -476.060
Base-Backbone interact. energy: -1.042
local terms energy: -507.129820
where:
bonds (distance) C4'-P energy: -96.428
bonds (distance) P-C4' energy: -103.469
flat angles C4'-P-C4' energy: -111.500
flat angles P-C4'-P energy: -66.771
tors. eta vs tors. theta energy: -128.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1540.224600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.224600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.224600 (E_RNA)
where:
Base-Base interactions energy: -1025.354
where: short stacking energy: -447.406
Base-Backbone interact. energy: -0.865
local terms energy: -514.005371
where:
bonds (distance) C4'-P energy: -90.066
bonds (distance) P-C4' energy: -95.503
flat angles C4'-P-C4' energy: -109.933
flat angles P-C4'-P energy: -74.392
tors. eta vs tors. theta energy: -144.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1348.514857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.514857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.514857 (E_RNA)
where:
Base-Base interactions energy: -903.973
where: short stacking energy: -375.641
Base-Backbone interact. energy: -1.423
local terms energy: -443.119389
where:
bonds (distance) C4'-P energy: -85.168
bonds (distance) P-C4' energy: -99.385
flat angles C4'-P-C4' energy: -89.229
flat angles P-C4'-P energy: -57.619
tors. eta vs tors. theta energy: -111.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1228.949855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.949855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.949855 (E_RNA)
where:
Base-Base interactions energy: -823.001
where: short stacking energy: -366.660
Base-Backbone interact. energy: 2.160
local terms energy: -408.108219
where:
bonds (distance) C4'-P energy: -68.461
bonds (distance) P-C4' energy: -93.688
flat angles C4'-P-C4' energy: -90.272
flat angles P-C4'-P energy: -64.245
tors. eta vs tors. theta energy: -91.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1108.998536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.998536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.998536 (E_RNA)
where:
Base-Base interactions energy: -703.190
where: short stacking energy: -319.061
Base-Backbone interact. energy: -1.572
local terms energy: -404.236763
where:
bonds (distance) C4'-P energy: -91.051
bonds (distance) P-C4' energy: -89.069
flat angles C4'-P-C4' energy: -102.538
flat angles P-C4'-P energy: -61.314
tors. eta vs tors. theta energy: -60.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -921.125708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.125708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.125708 (E_RNA)
where:
Base-Base interactions energy: -574.083
where: short stacking energy: -277.034
Base-Backbone interact. energy: 5.057
local terms energy: -352.099684
where:
bonds (distance) C4'-P energy: -92.343
bonds (distance) P-C4' energy: -77.835
flat angles C4'-P-C4' energy: -84.825
flat angles P-C4'-P energy: -43.595
tors. eta vs tors. theta energy: -53.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -746.993888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.993888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.993888 (E_RNA)
where:
Base-Base interactions energy: -435.893
where: short stacking energy: -209.443
Base-Backbone interact. energy: -4.932
local terms energy: -306.168529
where:
bonds (distance) C4'-P energy: -72.812
bonds (distance) P-C4' energy: -88.068
flat angles C4'-P-C4' energy: -78.450
flat angles P-C4'-P energy: -49.450
tors. eta vs tors. theta energy: -17.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -659.771344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.771344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.771344 (E_RNA)
where:
Base-Base interactions energy: -356.866
where: short stacking energy: -180.915
Base-Backbone interact. energy: 0.521
local terms energy: -303.547920
where:
bonds (distance) C4'-P energy: -76.296
bonds (distance) P-C4' energy: -82.082
flat angles C4'-P-C4' energy: -85.148
flat angles P-C4'-P energy: -52.611
tors. eta vs tors. theta energy: -7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.122 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1805.974630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.974630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.974630 (E_RNA)
where:
Base-Base interactions energy: -1258.466
where: short stacking energy: -538.859
Base-Backbone interact. energy: -1.433
local terms energy: -546.075513
where:
bonds (distance) C4'-P energy: -99.236
bonds (distance) P-C4' energy: -101.843
flat angles C4'-P-C4' energy: -104.247
flat angles P-C4'-P energy: -76.835
tors. eta vs tors. theta energy: -163.914
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: 2, replica: 8
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1662.827767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.827767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.827767 (E_RNA)
where:
Base-Base interactions energy: -1122.996
where: short stacking energy: -489.835
Base-Backbone interact. energy: -0.986
local terms energy: -538.844971
where:
bonds (distance) C4'-P energy: -111.961
bonds (distance) P-C4' energy: -95.368
flat angles C4'-P-C4' energy: -113.574
flat angles P-C4'-P energy: -70.397
tors. eta vs tors. theta energy: -147.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1569.791759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.791759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.791759 (E_RNA)
where:
Base-Base interactions energy: -1083.147
where: short stacking energy: -469.077
Base-Backbone interact. energy: -1.296
local terms energy: -485.349345
where:
bonds (distance) C4'-P energy: -88.865
bonds (distance) P-C4' energy: -91.399
flat angles C4'-P-C4' energy: -101.568
flat angles P-C4'-P energy: -69.901
tors. eta vs tors. theta energy: -133.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1512.468790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.468790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.468790 (E_RNA)
where:
Base-Base interactions energy: -1032.468
where: short stacking energy: -436.655
Base-Backbone interact. energy: -2.603
local terms energy: -477.397722
where:
bonds (distance) C4'-P energy: -101.323
bonds (distance) P-C4' energy: -88.109
flat angles C4'-P-C4' energy: -91.719
flat angles P-C4'-P energy: -67.373
tors. eta vs tors. theta energy: -128.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1385.146900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.146900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.146900 (E_RNA)
where:
Base-Base interactions energy: -924.962
where: short stacking energy: -417.992
Base-Backbone interact. energy: -3.043
local terms energy: -457.141364
where:
bonds (distance) C4'-P energy: -93.981
bonds (distance) P-C4' energy: -95.281
flat angles C4'-P-C4' energy: -89.723
flat angles P-C4'-P energy: -65.452
tors. eta vs tors. theta energy: -112.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1249.223194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.223194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.223194 (E_RNA)
where:
Base-Base interactions energy: -834.808
where: short stacking energy: -381.804
Base-Backbone interact. energy: -5.070
local terms energy: -409.345944
where:
bonds (distance) C4'-P energy: -61.328
bonds (distance) P-C4' energy: -93.989
flat angles C4'-P-C4' energy: -101.471
flat angles P-C4'-P energy: -55.192
tors. eta vs tors. theta energy: -97.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1103.468456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.468456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.468456 (E_RNA)
where:
Base-Base interactions energy: -695.462
where: short stacking energy: -319.259
Base-Backbone interact. energy: -4.110
local terms energy: -403.896954
where:
bonds (distance) C4'-P energy: -90.449
bonds (distance) P-C4' energy: -79.594
flat angles C4'-P-C4' energy: -82.644
flat angles P-C4'-P energy: -67.858
tors. eta vs tors. theta energy: -83.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -915.957234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.957234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.957234 (E_RNA)
where:
Base-Base interactions energy: -559.740
where: short stacking energy: -265.205
Base-Backbone interact. energy: 0.222
local terms energy: -356.439793
where:
bonds (distance) C4'-P energy: -80.251
bonds (distance) P-C4' energy: -90.147
flat angles C4'-P-C4' energy: -97.356
flat angles P-C4'-P energy: -37.860
tors. eta vs tors. theta energy: -50.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -695.036773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.036773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.036773 (E_RNA)
where:
Base-Base interactions energy: -386.732
where: short stacking energy: -193.738
Base-Backbone interact. energy: 4.102
local terms energy: -312.406254
where:
bonds (distance) C4'-P energy: -92.892
bonds (distance) P-C4' energy: -99.336
flat angles C4'-P-C4' energy: -69.865
flat angles P-C4'-P energy: -39.632
tors. eta vs tors. theta energy: -10.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -630.671159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.671159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.671159 (E_RNA)
where:
Base-Base interactions energy: -354.887
where: short stacking energy: -175.891
Base-Backbone interact. energy: 2.814
local terms energy: -278.598341
where:
bonds (distance) C4'-P energy: -72.547
bonds (distance) P-C4' energy: -83.243
flat angles C4'-P-C4' energy: -73.412
flat angles P-C4'-P energy: -41.810
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1789.028554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.028554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.028554 (E_RNA)
where:
Base-Base interactions energy: -1230.210
where: short stacking energy: -524.386
Base-Backbone interact. energy: -4.409
local terms energy: -554.409673
where:
bonds (distance) C4'-P energy: -104.036
bonds (distance) P-C4' energy: -100.096
flat angles C4'-P-C4' energy: -113.678
flat angles P-C4'-P energy: -75.681
tors. eta vs tors. theta energy: -160.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1690.757749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.757749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.757749 (E_RNA)
where:
Base-Base interactions energy: -1151.646
where: short stacking energy: -486.809
Base-Backbone interact. energy: -1.566
local terms energy: -537.545122
where:
bonds (distance) C4'-P energy: -90.828
bonds (distance) P-C4' energy: -113.253
flat angles C4'-P-C4' energy: -109.088
flat angles P-C4'-P energy: -76.303
tors. eta vs tors. theta energy: -148.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1603.745160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.745160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.745160 (E_RNA)
where:
Base-Base interactions energy: -1094.554
where: short stacking energy: -463.974
Base-Backbone interact. energy: -1.224
local terms energy: -507.966963
where:
bonds (distance) C4'-P energy: -103.934
bonds (distance) P-C4' energy: -96.356
flat angles C4'-P-C4' energy: -105.567
flat angles P-C4'-P energy: -62.803
tors. eta vs tors. theta energy: -139.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1506.104699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.104699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.104699 (E_RNA)
where:
Base-Base interactions energy: -1012.958
where: short stacking energy: -437.234
Base-Backbone interact. energy: -1.877
local terms energy: -491.269651
where:
bonds (distance) C4'-P energy: -94.795
bonds (distance) P-C4' energy: -104.052
flat angles C4'-P-C4' energy: -102.298
flat angles P-C4'-P energy: -67.364
tors. eta vs tors. theta energy: -122.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1350.271081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.271081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.271081 (E_RNA)
where:
Base-Base interactions energy: -923.161
where: short stacking energy: -411.009
Base-Backbone interact. energy: -0.068
local terms energy: -427.042472
where:
bonds (distance) C4'-P energy: -82.572
bonds (distance) P-C4' energy: -86.876
flat angles C4'-P-C4' energy: -88.867
flat angles P-C4'-P energy: -61.819
tors. eta vs tors. theta energy: -106.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1227.788804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.788804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.788804 (E_RNA)
where:
Base-Base interactions energy: -810.580
where: short stacking energy: -377.758
Base-Backbone interact. energy: -1.137
local terms energy: -416.071687
where:
bonds (distance) C4'-P energy: -74.657
bonds (distance) P-C4' energy: -92.543
flat angles C4'-P-C4' energy: -104.270
flat angles P-C4'-P energy: -57.177
tors. eta vs tors. theta energy: -87.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1080.222536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.222536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.222536 (E_RNA)
where:
Base-Base interactions energy: -676.521
where: short stacking energy: -323.869
Base-Backbone interact. energy: 3.234
local terms energy: -406.934945
where:
bonds (distance) C4'-P energy: -87.414
bonds (distance) P-C4' energy: -93.188
flat angles C4'-P-C4' energy: -100.566
flat angles P-C4'-P energy: -52.427
tors. eta vs tors. theta energy: -73.341
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: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -923.502818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.502818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.502818 (E_RNA)
where:
Base-Base interactions energy: -569.836
where: short stacking energy: -270.962
Base-Backbone interact. energy: -1.276
local terms energy: -352.390848
where:
bonds (distance) C4'-P energy: -82.673
bonds (distance) P-C4' energy: -92.619
flat angles C4'-P-C4' energy: -82.173
flat angles P-C4'-P energy: -61.720
tors. eta vs tors. theta energy: -33.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -721.323122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.323122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.323122 (E_RNA)
where:
Base-Base interactions energy: -409.823
where: short stacking energy: -179.484
Base-Backbone interact. energy: -1.797
local terms energy: -309.703879
where:
bonds (distance) C4'-P energy: -71.172
bonds (distance) P-C4' energy: -88.698
flat angles C4'-P-C4' energy: -79.149
flat angles P-C4'-P energy: -63.542
tors. eta vs tors. theta energy: -7.143
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: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -627.300573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.300573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.300573 (E_RNA)
where:
Base-Base interactions energy: -355.169
where: short stacking energy: -173.371
Base-Backbone interact. energy: -1.395
local terms energy: -270.736679
where:
bonds (distance) C4'-P energy: -84.890
bonds (distance) P-C4' energy: -85.899
flat angles C4'-P-C4' energy: -69.374
flat angles P-C4'-P energy: -38.478
tors. eta vs tors. theta energy: 7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1795.905951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.905951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.905951 (E_RNA)
where:
Base-Base interactions energy: -1233.315
where: short stacking energy: -525.610
Base-Backbone interact. energy: -0.974
local terms energy: -561.616991
where:
bonds (distance) C4'-P energy: -104.071
bonds (distance) P-C4' energy: -106.212
flat angles C4'-P-C4' energy: -113.804
flat angles P-C4'-P energy: -79.834
tors. eta vs tors. theta energy: -157.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1665.358261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.358261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.358261 (E_RNA)
where:
Base-Base interactions energy: -1129.949
where: short stacking energy: -489.652
Base-Backbone interact. energy: 1.012
local terms energy: -536.421718
where:
bonds (distance) C4'-P energy: -106.432
bonds (distance) P-C4' energy: -113.220
flat angles C4'-P-C4' energy: -113.083
flat angles P-C4'-P energy: -64.028
tors. eta vs tors. theta energy: -139.659
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: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1596.704478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.704478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.704478 (E_RNA)
where:
Base-Base interactions energy: -1087.440
where: short stacking energy: -457.755
Base-Backbone interact. energy: -0.304
local terms energy: -508.960562
where:
bonds (distance) C4'-P energy: -100.517
bonds (distance) P-C4' energy: -99.959
flat angles C4'-P-C4' energy: -110.611
flat angles P-C4'-P energy: -68.436
tors. eta vs tors. theta energy: -129.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1498.331818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.331818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.331818 (E_RNA)
where:
Base-Base interactions energy: -1015.474
where: short stacking energy: -436.602
Base-Backbone interact. energy: 2.449
local terms energy: -485.306925
where:
bonds (distance) C4'-P energy: -90.307
bonds (distance) P-C4' energy: -94.439
flat angles C4'-P-C4' energy: -109.950
flat angles P-C4'-P energy: -66.732
tors. eta vs tors. theta energy: -123.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1371.293345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.293345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.293345 (E_RNA)
where:
Base-Base interactions energy: -925.396
where: short stacking energy: -406.437
Base-Backbone interact. energy: -2.355
local terms energy: -443.542027
where:
bonds (distance) C4'-P energy: -85.822
bonds (distance) P-C4' energy: -96.171
flat angles C4'-P-C4' energy: -94.329
flat angles P-C4'-P energy: -60.356
tors. eta vs tors. theta energy: -106.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1218.052368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.052368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.052368 (E_RNA)
where:
Base-Base interactions energy: -804.192
where: short stacking energy: -340.442
Base-Backbone interact. energy: -1.744
local terms energy: -412.116217
where:
bonds (distance) C4'-P energy: -90.234
bonds (distance) P-C4' energy: -96.959
flat angles C4'-P-C4' energy: -86.038
flat angles P-C4'-P energy: -60.165
tors. eta vs tors. theta energy: -78.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1068.342550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.342550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.342550 (E_RNA)
where:
Base-Base interactions energy: -674.289
where: short stacking energy: -305.676
Base-Backbone interact. energy: -0.223
local terms energy: -393.831098
where:
bonds (distance) C4'-P energy: -86.297
bonds (distance) P-C4' energy: -82.106
flat angles C4'-P-C4' energy: -105.552
flat angles P-C4'-P energy: -61.392
tors. eta vs tors. theta energy: -58.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -890.811093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.811093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.811093 (E_RNA)
where:
Base-Base interactions energy: -541.979
where: short stacking energy: -276.438
Base-Backbone interact. energy: -1.670
local terms energy: -347.161898
where:
bonds (distance) C4'-P energy: -84.398
bonds (distance) P-C4' energy: -98.281
flat angles C4'-P-C4' energy: -76.724
flat angles P-C4'-P energy: -49.433
tors. eta vs tors. theta energy: -38.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -690.553551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.553551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.553551 (E_RNA)
where:
Base-Base interactions energy: -389.091
where: short stacking energy: -191.715
Base-Backbone interact. energy: -2.076
local terms energy: -299.386376
where:
bonds (distance) C4'-P energy: -82.438
bonds (distance) P-C4' energy: -89.052
flat angles C4'-P-C4' energy: -85.739
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -599.353183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.353183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.353183 (E_RNA)
where:
Base-Base interactions energy: -295.559
where: short stacking energy: -143.496
Base-Backbone interact. energy: -1.950
local terms energy: -302.638471
where:
bonds (distance) C4'-P energy: -63.772
bonds (distance) P-C4' energy: -87.717
flat angles C4'-P-C4' energy: -75.912
flat angles P-C4'-P energy: -63.037
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.795 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1797.160017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.160017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.160017 (E_RNA)
where:
Base-Base interactions energy: -1230.617
where: short stacking energy: -539.352
Base-Backbone interact. energy: -2.200
local terms energy: -564.342159
where:
bonds (distance) C4'-P energy: -100.099
bonds (distance) P-C4' energy: -100.619
flat angles C4'-P-C4' energy: -122.805
flat angles P-C4'-P energy: -76.849
tors. eta vs tors. theta energy: -163.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1648.351688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.351688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.351688 (E_RNA)
where:
Base-Base interactions energy: -1116.416
where: short stacking energy: -461.325
Base-Backbone interact. energy: -1.215
local terms energy: -530.720744
where:
bonds (distance) C4'-P energy: -101.819
bonds (distance) P-C4' energy: -101.150
flat angles C4'-P-C4' energy: -116.979
flat angles P-C4'-P energy: -67.453
tors. eta vs tors. theta energy: -143.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1594.416881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.416881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.416881 (E_RNA)
where:
Base-Base interactions energy: -1097.910
where: short stacking energy: -472.072
Base-Backbone interact. energy: -2.766
local terms energy: -493.740017
where:
bonds (distance) C4'-P energy: -87.959
bonds (distance) P-C4' energy: -90.141
flat angles C4'-P-C4' energy: -108.594
flat angles P-C4'-P energy: -62.895
tors. eta vs tors. theta energy: -144.151
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: 4, replica: 5
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1471.003969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.003969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.003969 (E_RNA)
where:
Base-Base interactions energy: -1007.658
where: short stacking energy: -426.746
Base-Backbone interact. energy: -0.538
local terms energy: -462.807830
where:
bonds (distance) C4'-P energy: -85.377
bonds (distance) P-C4' energy: -91.597
flat angles C4'-P-C4' energy: -99.773
flat angles P-C4'-P energy: -59.744
tors. eta vs tors. theta energy: -126.317
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: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1420.923005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.923005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.923005 (E_RNA)
where:
Base-Base interactions energy: -938.527
where: short stacking energy: -409.264
Base-Backbone interact. energy: -1.838
local terms energy: -480.558204
where:
bonds (distance) C4'-P energy: -95.404
bonds (distance) P-C4' energy: -97.414
flat angles C4'-P-C4' energy: -97.232
flat angles P-C4'-P energy: -76.093
tors. eta vs tors. theta energy: -114.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1209.252312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.252312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.252312 (E_RNA)
where:
Base-Base interactions energy: -808.524
where: short stacking energy: -343.544
Base-Backbone interact. energy: -2.599
local terms energy: -398.129366
where:
bonds (distance) C4'-P energy: -79.567
bonds (distance) P-C4' energy: -86.355
flat angles C4'-P-C4' energy: -100.347
flat angles P-C4'-P energy: -60.169
tors. eta vs tors. theta energy: -71.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1047.536164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.536164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.536164 (E_RNA)
where:
Base-Base interactions energy: -633.234
where: short stacking energy: -284.154
Base-Backbone interact. energy: -0.923
local terms energy: -413.379138
where:
bonds (distance) C4'-P energy: -91.611
bonds (distance) P-C4' energy: -103.984
flat angles C4'-P-C4' energy: -88.180
flat angles P-C4'-P energy: -60.207
tors. eta vs tors. theta energy: -69.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -899.610529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.610529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.610529 (E_RNA)
where:
Base-Base interactions energy: -522.304
where: short stacking energy: -274.950
Base-Backbone interact. energy: -0.805
local terms energy: -376.501918
where:
bonds (distance) C4'-P energy: -83.512
bonds (distance) P-C4' energy: -85.792
flat angles C4'-P-C4' energy: -100.163
flat angles P-C4'-P energy: -54.617
tors. eta vs tors. theta energy: -52.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -689.692461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.692461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.692461 (E_RNA)
where:
Base-Base interactions energy: -385.660
where: short stacking energy: -179.119
Base-Backbone interact. energy: 0.265
local terms energy: -304.297181
where:
bonds (distance) C4'-P energy: -84.686
bonds (distance) P-C4' energy: -83.864
flat angles C4'-P-C4' energy: -77.701
flat angles P-C4'-P energy: -46.715
tors. eta vs tors. theta energy: -11.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -603.452302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.452302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.452302 (E_RNA)
where:
Base-Base interactions energy: -321.769
where: short stacking energy: -176.291
Base-Backbone interact. energy: -2.613
local terms energy: -279.069725
where:
bonds (distance) C4'-P energy: -78.736
bonds (distance) P-C4' energy: -94.804
flat angles C4'-P-C4' energy: -61.901
flat angles P-C4'-P energy: -34.537
tors. eta vs tors. theta energy: -9.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1767.703688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.703688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.703688 (E_RNA)
where:
Base-Base interactions energy: -1231.073
where: short stacking energy: -510.016
Base-Backbone interact. energy: -0.720
local terms energy: -535.911280
where:
bonds (distance) C4'-P energy: -90.571
bonds (distance) P-C4' energy: -107.284
flat angles C4'-P-C4' energy: -117.182
flat angles P-C4'-P energy: -67.798
tors. eta vs tors. theta energy: -153.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1645.548818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.548818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.548818 (E_RNA)
where:
Base-Base interactions energy: -1119.433
where: short stacking energy: -485.538
Base-Backbone interact. energy: -0.532
local terms energy: -525.583551
where:
bonds (distance) C4'-P energy: -97.874
bonds (distance) P-C4' energy: -91.156
flat angles C4'-P-C4' energy: -116.108
flat angles P-C4'-P energy: -75.461
tors. eta vs tors. theta energy: -144.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1613.754321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.754321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.754321 (E_RNA)
where:
Base-Base interactions energy: -1073.821
where: short stacking energy: -445.950
Base-Backbone interact. energy: -2.408
local terms energy: -537.525420
where:
bonds (distance) C4'-P energy: -105.198
bonds (distance) P-C4' energy: -106.490
flat angles C4'-P-C4' energy: -114.445
flat angles P-C4'-P energy: -74.012
tors. eta vs tors. theta energy: -137.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1474.797120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.797120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.797120 (E_RNA)
where:
Base-Base interactions energy: -1002.563
where: short stacking energy: -416.106
Base-Backbone interact. energy: -0.370
local terms energy: -471.864169
where:
bonds (distance) C4'-P energy: -92.177
bonds (distance) P-C4' energy: -95.441
flat angles C4'-P-C4' energy: -100.404
flat angles P-C4'-P energy: -56.783
tors. eta vs tors. theta energy: -127.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1412.918160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.918160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.918160 (E_RNA)
where:
Base-Base interactions energy: -950.549
where: short stacking energy: -429.219
Base-Backbone interact. energy: -4.352
local terms energy: -458.016855
where:
bonds (distance) C4'-P energy: -89.015
bonds (distance) P-C4' energy: -85.877
flat angles C4'-P-C4' energy: -105.249
flat angles P-C4'-P energy: -56.202
tors. eta vs tors. theta energy: -121.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1183.615919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.615919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.615919 (E_RNA)
where:
Base-Base interactions energy: -754.077
where: short stacking energy: -310.516
Base-Backbone interact. energy: -1.805
local terms energy: -427.733386
where:
bonds (distance) C4'-P energy: -90.505
bonds (distance) P-C4' energy: -99.903
flat angles C4'-P-C4' energy: -104.004
flat angles P-C4'-P energy: -62.341
tors. eta vs tors. theta energy: -70.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1045.817843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.817843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.817843 (E_RNA)
where:
Base-Base interactions energy: -658.608
where: short stacking energy: -295.288
Base-Backbone interact. energy: -1.591
local terms energy: -385.619193
where:
bonds (distance) C4'-P energy: -90.502
bonds (distance) P-C4' energy: -93.915
flat angles C4'-P-C4' energy: -83.917
flat angles P-C4'-P energy: -54.003
tors. eta vs tors. theta energy: -63.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -914.587863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.587863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.587863 (E_RNA)
where:
Base-Base interactions energy: -502.073
where: short stacking energy: -259.472
Base-Backbone interact. energy: 1.608
local terms energy: -414.122615
where:
bonds (distance) C4'-P energy: -97.044
bonds (distance) P-C4' energy: -102.013
flat angles C4'-P-C4' energy: -101.447
flat angles P-C4'-P energy: -56.329
tors. eta vs tors. theta energy: -57.290
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: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -699.364824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.364824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.364824 (E_RNA)
where:
Base-Base interactions energy: -393.733
where: short stacking energy: -221.722
Base-Backbone interact. energy: -1.359
local terms energy: -304.272580
where:
bonds (distance) C4'-P energy: -71.636
bonds (distance) P-C4' energy: -91.748
flat angles C4'-P-C4' energy: -64.304
flat angles P-C4'-P energy: -51.990
tors. eta vs tors. theta energy: -24.596
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: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -613.736267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.736267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.736267 (E_RNA)
where:
Base-Base interactions energy: -305.317
where: short stacking energy: -145.205
Base-Backbone interact. energy: -1.740
local terms energy: -306.679140
where:
bonds (distance) C4'-P energy: -73.317
bonds (distance) P-C4' energy: -97.900
flat angles C4'-P-C4' energy: -84.109
flat angles P-C4'-P energy: -43.227
tors. eta vs tors. theta energy: -8.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1780.573259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.573259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.573259 (E_RNA)
where:
Base-Base interactions energy: -1239.382
where: short stacking energy: -534.196
Base-Backbone interact. energy: -0.083
local terms energy: -541.108469
where:
bonds (distance) C4'-P energy: -87.638
bonds (distance) P-C4' energy: -107.999
flat angles C4'-P-C4' energy: -113.734
flat angles P-C4'-P energy: -77.532
tors. eta vs tors. theta energy: -154.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1673.424767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.424767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.424767 (E_RNA)
where:
Base-Base interactions energy: -1115.589
where: short stacking energy: -487.066
Base-Backbone interact. energy: -2.932
local terms energy: -554.903966
where:
bonds (distance) C4'-P energy: -115.104
bonds (distance) P-C4' energy: -99.108
flat angles C4'-P-C4' energy: -122.031
flat angles P-C4'-P energy: -67.963
tors. eta vs tors. theta energy: -150.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1594.542995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.542995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.542995 (E_RNA)
where:
Base-Base interactions energy: -1091.505
where: short stacking energy: -459.952
Base-Backbone interact. energy: -0.846
local terms energy: -502.192312
where:
bonds (distance) C4'-P energy: -83.297
bonds (distance) P-C4' energy: -95.936
flat angles C4'-P-C4' energy: -108.735
flat angles P-C4'-P energy: -75.374
tors. eta vs tors. theta energy: -138.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1522.262005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.262005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.262005 (E_RNA)
where:
Base-Base interactions energy: -1020.245
where: short stacking energy: -446.893
Base-Backbone interact. energy: -0.665
local terms energy: -501.351675
where:
bonds (distance) C4'-P energy: -97.475
bonds (distance) P-C4' energy: -83.477
flat angles C4'-P-C4' energy: -115.514
flat angles P-C4'-P energy: -67.965
tors. eta vs tors. theta energy: -136.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1375.518486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.518486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.518486 (E_RNA)
where:
Base-Base interactions energy: -914.967
where: short stacking energy: -402.880
Base-Backbone interact. energy: 0.497
local terms energy: -461.048677
where:
bonds (distance) C4'-P energy: -96.356
bonds (distance) P-C4' energy: -88.798
flat angles C4'-P-C4' energy: -108.749
flat angles P-C4'-P energy: -49.610
tors. eta vs tors. theta energy: -117.535
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: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1272.764388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.764388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.764388 (E_RNA)
where:
Base-Base interactions energy: -846.727
where: short stacking energy: -392.980
Base-Backbone interact. energy: 0.387
local terms energy: -426.424763
where:
bonds (distance) C4'-P energy: -88.053
bonds (distance) P-C4' energy: -84.765
flat angles C4'-P-C4' energy: -92.797
flat angles P-C4'-P energy: -59.635
tors. eta vs tors. theta energy: -101.176
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: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1075.442034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.442034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.442034 (E_RNA)
where:
Base-Base interactions energy: -666.817
where: short stacking energy: -314.869
Base-Backbone interact. energy: -3.982
local terms energy: -404.642658
where:
bonds (distance) C4'-P energy: -78.544
bonds (distance) P-C4' energy: -95.053
flat angles C4'-P-C4' energy: -104.524
flat angles P-C4'-P energy: -48.870
tors. eta vs tors. theta energy: -77.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -864.029224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.029224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.029224 (E_RNA)
where:
Base-Base interactions energy: -496.294
where: short stacking energy: -246.758
Base-Backbone interact. energy: -0.311
local terms energy: -367.424255
where:
bonds (distance) C4'-P energy: -85.134
bonds (distance) P-C4' energy: -88.331
flat angles C4'-P-C4' energy: -80.728
flat angles P-C4'-P energy: -69.770
tors. eta vs tors. theta energy: -43.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -681.502270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.502270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.502270 (E_RNA)
where:
Base-Base interactions energy: -399.663
where: short stacking energy: -203.015
Base-Backbone interact. energy: -0.866
local terms energy: -280.972993
where:
bonds (distance) C4'-P energy: -77.592
bonds (distance) P-C4' energy: -90.717
flat angles C4'-P-C4' energy: -67.586
flat angles P-C4'-P energy: -40.503
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: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -634.599175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.599175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.599175 (E_RNA)
where:
Base-Base interactions energy: -350.338
where: short stacking energy: -195.567
Base-Backbone interact. energy: 5.306
local terms energy: -291.366480
where:
bonds (distance) C4'-P energy: -69.554
bonds (distance) P-C4' energy: -85.297
flat angles C4'-P-C4' energy: -77.815
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.799 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1803.310299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.310299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.310299 (E_RNA)
where:
Base-Base interactions energy: -1260.480
where: short stacking energy: -547.963
Base-Backbone interact. energy: -1.500
local terms energy: -541.330669
where:
bonds (distance) C4'-P energy: -85.901
bonds (distance) P-C4' energy: -114.350
flat angles C4'-P-C4' energy: -112.674
flat angles P-C4'-P energy: -69.963
tors. eta vs tors. theta energy: -158.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1646.877446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.877446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.877446 (E_RNA)
where:
Base-Base interactions energy: -1108.057
where: short stacking energy: -491.150
Base-Backbone interact. energy: 1.455
local terms energy: -540.275430
where:
bonds (distance) C4'-P energy: -101.804
bonds (distance) P-C4' energy: -106.093
flat angles C4'-P-C4' energy: -113.569
flat angles P-C4'-P energy: -70.535
tors. eta vs tors. theta energy: -148.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1622.399149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.399149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.399149 (E_RNA)
where:
Base-Base interactions energy: -1107.101
where: short stacking energy: -483.452
Base-Backbone interact. energy: 1.879
local terms energy: -517.176724
where:
bonds (distance) C4'-P energy: -91.018
bonds (distance) P-C4' energy: -97.952
flat angles C4'-P-C4' energy: -115.580
flat angles P-C4'-P energy: -71.557
tors. eta vs tors. theta energy: -141.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1530.928596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.928596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.928596 (E_RNA)
where:
Base-Base interactions energy: -1031.145
where: short stacking energy: -442.348
Base-Backbone interact. energy: -3.137
local terms energy: -496.647043
where:
bonds (distance) C4'-P energy: -99.633
bonds (distance) P-C4' energy: -83.840
flat angles C4'-P-C4' energy: -108.158
flat angles P-C4'-P energy: -78.557
tors. eta vs tors. theta energy: -126.460
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: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1380.980290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.980290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.980290 (E_RNA)
where:
Base-Base interactions energy: -923.023
where: short stacking energy: -409.116
Base-Backbone interact. energy: -1.681
local terms energy: -456.276814
where:
bonds (distance) C4'-P energy: -98.335
bonds (distance) P-C4' energy: -101.455
flat angles C4'-P-C4' energy: -98.762
flat angles P-C4'-P energy: -49.877
tors. eta vs tors. theta energy: -107.848
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: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1222.744713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.744713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.744713 (E_RNA)
where:
Base-Base interactions energy: -788.181
where: short stacking energy: -350.887
Base-Backbone interact. energy: 0.517
local terms energy: -435.080142
where:
bonds (distance) C4'-P energy: -88.077
bonds (distance) P-C4' energy: -89.186
flat angles C4'-P-C4' energy: -105.402
flat angles P-C4'-P energy: -71.402
tors. eta vs tors. theta energy: -81.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1102.446269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.446269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.446269 (E_RNA)
where:
Base-Base interactions energy: -711.762
where: short stacking energy: -313.008
Base-Backbone interact. energy: 0.209
local terms energy: -390.893089
where:
bonds (distance) C4'-P energy: -80.844
bonds (distance) P-C4' energy: -84.261
flat angles C4'-P-C4' energy: -97.416
flat angles P-C4'-P energy: -61.439
tors. eta vs tors. theta energy: -66.933
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: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -859.736976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.736976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.736976 (E_RNA)
where:
Base-Base interactions energy: -524.507
where: short stacking energy: -245.998
Base-Backbone interact. energy: -0.507
local terms energy: -334.723170
where:
bonds (distance) C4'-P energy: -83.685
bonds (distance) P-C4' energy: -90.670
flat angles C4'-P-C4' energy: -81.993
flat angles P-C4'-P energy: -46.782
tors. eta vs tors. theta energy: -31.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -687.114747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.114747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.114747 (E_RNA)
where:
Base-Base interactions energy: -365.263
where: short stacking energy: -187.256
Base-Backbone interact. energy: 1.128
local terms energy: -322.979647
where:
bonds (distance) C4'-P energy: -79.808
bonds (distance) P-C4' energy: -97.079
flat angles C4'-P-C4' energy: -82.693
flat angles P-C4'-P energy: -44.488
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -600.579766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.579766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.579766 (E_RNA)
where:
Base-Base interactions energy: -328.120
where: short stacking energy: -173.431
Base-Backbone interact. energy: 0.943
local terms energy: -273.402563
where:
bonds (distance) C4'-P energy: -82.190
bonds (distance) P-C4' energy: -70.954
flat angles C4'-P-C4' energy: -74.570
flat angles P-C4'-P energy: -47.421
tors. eta vs tors. theta energy: 1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1788.453500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.453500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.453500 (E_RNA)
where:
Base-Base interactions energy: -1226.246
where: short stacking energy: -522.482
Base-Backbone interact. energy: -3.089
local terms energy: -559.117903
where:
bonds (distance) C4'-P energy: -95.665
bonds (distance) P-C4' energy: -107.869
flat angles C4'-P-C4' energy: -121.711
flat angles P-C4'-P energy: -76.989
tors. eta vs tors. theta energy: -156.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1652.552412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.552412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.552412 (E_RNA)
where:
Base-Base interactions energy: -1125.168
where: short stacking energy: -460.901
Base-Backbone interact. energy: -3.170
local terms energy: -524.214838
where:
bonds (distance) C4'-P energy: -96.285
bonds (distance) P-C4' energy: -115.164
flat angles C4'-P-C4' energy: -101.172
flat angles P-C4'-P energy: -69.242
tors. eta vs tors. theta energy: -142.351
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: 3, replica: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1579.205894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.205894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.205894 (E_RNA)
where:
Base-Base interactions energy: -1077.731
where: short stacking energy: -481.193
Base-Backbone interact. energy: -2.034
local terms energy: -499.440652
where:
bonds (distance) C4'-P energy: -98.047
bonds (distance) P-C4' energy: -97.914
flat angles C4'-P-C4' energy: -94.006
flat angles P-C4'-P energy: -68.186
tors. eta vs tors. theta energy: -141.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1505.256698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.256698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.256698 (E_RNA)
where:
Base-Base interactions energy: -1006.253
where: short stacking energy: -443.662
Base-Backbone interact. energy: -1.212
local terms energy: -497.792101
where:
bonds (distance) C4'-P energy: -83.177
bonds (distance) P-C4' energy: -103.114
flat angles C4'-P-C4' energy: -100.066
flat angles P-C4'-P energy: -72.520
tors. eta vs tors. theta energy: -138.914
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: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1420.820911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.820911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.820911 (E_RNA)
where:
Base-Base interactions energy: -944.140
where: short stacking energy: -407.361
Base-Backbone interact. energy: -1.336
local terms energy: -475.345664
where:
bonds (distance) C4'-P energy: -101.287
bonds (distance) P-C4' energy: -101.529
flat angles C4'-P-C4' energy: -95.048
flat angles P-C4'-P energy: -56.354
tors. eta vs tors. theta energy: -121.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1223.570518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.570518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.570518 (E_RNA)
where:
Base-Base interactions energy: -788.587
where: short stacking energy: -370.298
Base-Backbone interact. energy: 0.342
local terms energy: -435.324949
where:
bonds (distance) C4'-P energy: -94.442
bonds (distance) P-C4' energy: -99.601
flat angles C4'-P-C4' energy: -97.533
flat angles P-C4'-P energy: -59.847
tors. eta vs tors. theta energy: -83.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1061.197735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.197735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.197735 (E_RNA)
where:
Base-Base interactions energy: -663.067
where: short stacking energy: -316.405
Base-Backbone interact. energy: -0.598
local terms energy: -397.532004
where:
bonds (distance) C4'-P energy: -97.111
bonds (distance) P-C4' energy: -82.030
flat angles C4'-P-C4' energy: -87.728
flat angles P-C4'-P energy: -56.794
tors. eta vs tors. theta energy: -73.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -862.569377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.569377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.569377 (E_RNA)
where:
Base-Base interactions energy: -513.799
where: short stacking energy: -257.678
Base-Backbone interact. energy: -2.000
local terms energy: -346.769966
where:
bonds (distance) C4'-P energy: -87.294
bonds (distance) P-C4' energy: -89.199
flat angles C4'-P-C4' energy: -80.559
flat angles P-C4'-P energy: -52.844
tors. eta vs tors. theta energy: -36.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -660.442898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.442898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.442898 (E_RNA)
where:
Base-Base interactions energy: -357.797
where: short stacking energy: -189.379
Base-Backbone interact. energy: 1.009
local terms energy: -303.944217
where:
bonds (distance) C4'-P energy: -68.795
bonds (distance) P-C4' energy: -93.627
flat angles C4'-P-C4' energy: -79.834
flat angles P-C4'-P energy: -41.444
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.289 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -555.609910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.609910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.609910 (E_RNA)
where:
Base-Base interactions energy: -286.757
where: short stacking energy: -164.255
Base-Backbone interact. energy: 4.783
local terms energy: -273.636569
where:
bonds (distance) C4'-P energy: -89.333
bonds (distance) P-C4' energy: -86.822
flat angles C4'-P-C4' energy: -66.481
flat angles P-C4'-P energy: -45.161
tors. eta vs tors. theta energy: 14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1813.958291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.958291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.958291 (E_RNA)
where:
Base-Base interactions energy: -1249.187
where: short stacking energy: -525.637
Base-Backbone interact. energy: -1.379
local terms energy: -566.516990
where:
bonds (distance) C4'-P energy: -90.101
bonds (distance) P-C4' energy: -112.433
flat angles C4'-P-C4' energy: -125.580
flat angles P-C4'-P energy: -81.188
tors. eta vs tors. theta energy: -157.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.125 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1645.021233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.021233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.021233 (E_RNA)
where:
Base-Base interactions energy: -1119.818
where: short stacking energy: -500.331
Base-Backbone interact. energy: -5.500
local terms energy: -519.702953
where:
bonds (distance) C4'-P energy: -96.657
bonds (distance) P-C4' energy: -89.941
flat angles C4'-P-C4' energy: -106.839
flat angles P-C4'-P energy: -86.873
tors. eta vs tors. theta energy: -139.394
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: 3, replica: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1582.055252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.055252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.055252 (E_RNA)
where:
Base-Base interactions energy: -1063.213
where: short stacking energy: -459.104
Base-Backbone interact. energy: -3.892
local terms energy: -514.949836
where:
bonds (distance) C4'-P energy: -84.859
bonds (distance) P-C4' energy: -105.986
flat angles C4'-P-C4' energy: -111.212
flat angles P-C4'-P energy: -72.074
tors. eta vs tors. theta energy: -140.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1532.844907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.844907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.844907 (E_RNA)
where:
Base-Base interactions energy: -1030.119
where: short stacking energy: -443.266
Base-Backbone interact. energy: -1.466
local terms energy: -501.259211
where:
bonds (distance) C4'-P energy: -81.437
bonds (distance) P-C4' energy: -105.817
flat angles C4'-P-C4' energy: -118.009
flat angles P-C4'-P energy: -69.082
tors. eta vs tors. theta energy: -126.914
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: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1378.832350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.832350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.832350 (E_RNA)
where:
Base-Base interactions energy: -921.828
where: short stacking energy: -399.819
Base-Backbone interact. energy: -1.705
local terms energy: -455.299734
where:
bonds (distance) C4'-P energy: -87.542
bonds (distance) P-C4' energy: -91.195
flat angles C4'-P-C4' energy: -90.811
flat angles P-C4'-P energy: -71.671
tors. eta vs tors. theta energy: -114.082
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: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1226.844414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.844414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.844414 (E_RNA)
where:
Base-Base interactions energy: -800.988
where: short stacking energy: -362.851
Base-Backbone interact. energy: -1.080
local terms energy: -424.776778
where:
bonds (distance) C4'-P energy: -89.355
bonds (distance) P-C4' energy: -84.127
flat angles C4'-P-C4' energy: -103.016
flat angles P-C4'-P energy: -56.395
tors. eta vs tors. theta energy: -91.884
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: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1113.138731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.138731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.138731 (E_RNA)
where:
Base-Base interactions energy: -714.191
where: short stacking energy: -337.448
Base-Backbone interact. energy: -1.048
local terms energy: -397.899440
where:
bonds (distance) C4'-P energy: -81.219
bonds (distance) P-C4' energy: -98.750
flat angles C4'-P-C4' energy: -77.562
flat angles P-C4'-P energy: -58.443
tors. eta vs tors. theta energy: -81.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -864.995180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.995180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.995180 (E_RNA)
where:
Base-Base interactions energy: -507.190
where: short stacking energy: -229.997
Base-Backbone interact. energy: 1.139
local terms energy: -358.944157
where:
bonds (distance) C4'-P energy: -92.771
bonds (distance) P-C4' energy: -87.725
flat angles C4'-P-C4' energy: -83.440
flat angles P-C4'-P energy: -67.384
tors. eta vs tors. theta energy: -27.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -688.697466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.697466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.697466 (E_RNA)
where:
Base-Base interactions energy: -370.380
where: short stacking energy: -185.228
Base-Backbone interact. energy: -1.839
local terms energy: -316.478284
where:
bonds (distance) C4'-P energy: -65.903
bonds (distance) P-C4' energy: -92.045
flat angles C4'-P-C4' energy: -86.935
flat angles P-C4'-P energy: -45.904
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -524.799591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.799591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.799591 (E_RNA)
where:
Base-Base interactions energy: -254.924
where: short stacking energy: -165.549
Base-Backbone interact. energy: 1.240
local terms energy: -271.116077
where:
bonds (distance) C4'-P energy: -86.975
bonds (distance) P-C4' energy: -91.465
flat angles C4'-P-C4' energy: -66.258
flat angles P-C4'-P energy: -31.354
tors. eta vs tors. theta energy: 4.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1792.563932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.563932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.563932 (E_RNA)
where:
Base-Base interactions energy: -1239.868
where: short stacking energy: -508.988
Base-Backbone interact. energy: -0.584
local terms energy: -552.112107
where:
bonds (distance) C4'-P energy: -104.995
bonds (distance) P-C4' energy: -104.980
flat angles C4'-P-C4' energy: -117.573
flat angles P-C4'-P energy: -67.358
tors. eta vs tors. theta energy: -157.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1610.816065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.816065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.816065 (E_RNA)
where:
Base-Base interactions energy: -1106.371
where: short stacking energy: -484.076
Base-Backbone interact. energy: 3.364
local terms energy: -507.808335
where:
bonds (distance) C4'-P energy: -99.724
bonds (distance) P-C4' energy: -96.619
flat angles C4'-P-C4' energy: -111.858
flat angles P-C4'-P energy: -69.393
tors. eta vs tors. theta energy: -130.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1615.082057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.082057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.082057 (E_RNA)
where:
Base-Base interactions energy: -1084.648
where: short stacking energy: -452.780
Base-Backbone interact. energy: -1.284
local terms energy: -529.149459
where:
bonds (distance) C4'-P energy: -99.045
bonds (distance) P-C4' energy: -106.433
flat angles C4'-P-C4' energy: -115.549
flat angles P-C4'-P energy: -74.537
tors. eta vs tors. theta energy: -133.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1508.117041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.117041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.117041 (E_RNA)
where:
Base-Base interactions energy: -1014.860
where: short stacking energy: -455.046
Base-Backbone interact. energy: -0.596
local terms energy: -492.660344
where:
bonds (distance) C4'-P energy: -101.896
bonds (distance) P-C4' energy: -85.046
flat angles C4'-P-C4' energy: -98.385
flat angles P-C4'-P energy: -75.273
tors. eta vs tors. theta energy: -132.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1371.825465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.825465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.825465 (E_RNA)
where:
Base-Base interactions energy: -924.704
where: short stacking energy: -411.601
Base-Backbone interact. energy: -1.430
local terms energy: -445.691981
where:
bonds (distance) C4'-P energy: -76.633
bonds (distance) P-C4' energy: -88.184
flat angles C4'-P-C4' energy: -104.568
flat angles P-C4'-P energy: -57.439
tors. eta vs tors. theta energy: -118.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1255.889813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.889813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.889813 (E_RNA)
where:
Base-Base interactions energy: -853.057
where: short stacking energy: -361.166
Base-Backbone interact. energy: -1.018
local terms energy: -401.814887
where:
bonds (distance) C4'-P energy: -83.958
bonds (distance) P-C4' energy: -80.204
flat angles C4'-P-C4' energy: -100.623
flat angles P-C4'-P energy: -57.347
tors. eta vs tors. theta energy: -79.684
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: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1051.911637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.911637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.911637 (E_RNA)
where:
Base-Base interactions energy: -676.472
where: short stacking energy: -293.440
Base-Backbone interact. energy: -1.524
local terms energy: -373.915615
where:
bonds (distance) C4'-P energy: -92.161
bonds (distance) P-C4' energy: -88.965
flat angles C4'-P-C4' energy: -84.346
flat angles P-C4'-P energy: -44.765
tors. eta vs tors. theta energy: -63.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -859.298198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.298198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.298198 (E_RNA)
where:
Base-Base interactions energy: -510.764
where: short stacking energy: -249.121
Base-Backbone interact. energy: 1.646
local terms energy: -350.180438
where:
bonds (distance) C4'-P energy: -89.765
bonds (distance) P-C4' energy: -84.390
flat angles C4'-P-C4' energy: -68.021
flat angles P-C4'-P energy: -62.566
tors. eta vs tors. theta energy: -45.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -666.241962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.241962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.241962 (E_RNA)
where:
Base-Base interactions energy: -345.704
where: short stacking energy: -180.137
Base-Backbone interact. energy: -1.496
local terms energy: -319.041950
where:
bonds (distance) C4'-P energy: -86.131
bonds (distance) P-C4' energy: -86.089
flat angles C4'-P-C4' energy: -80.378
flat angles P-C4'-P energy: -45.364
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -522.997050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.997050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.997050 (E_RNA)
where:
Base-Base interactions energy: -238.392
where: short stacking energy: -150.833
Base-Backbone interact. energy: -0.731
local terms energy: -283.874158
where:
bonds (distance) C4'-P energy: -70.890
bonds (distance) P-C4' energy: -80.165
flat angles C4'-P-C4' energy: -67.540
flat angles P-C4'-P energy: -54.865
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1798.728837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.728837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.728837 (E_RNA)
where:
Base-Base interactions energy: -1233.114
where: short stacking energy: -524.456
Base-Backbone interact. energy: -0.914
local terms energy: -564.701025
where:
bonds (distance) C4'-P energy: -112.769
bonds (distance) P-C4' energy: -106.345
flat angles C4'-P-C4' energy: -120.855
flat angles P-C4'-P energy: -73.205
tors. eta vs tors. theta energy: -151.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1594.023527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.023527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.023527 (E_RNA)
where:
Base-Base interactions energy: -1079.607
where: short stacking energy: -467.889
Base-Backbone interact. energy: 2.469
local terms energy: -516.885347
where:
bonds (distance) C4'-P energy: -93.144
bonds (distance) P-C4' energy: -99.190
flat angles C4'-P-C4' energy: -115.711
flat angles P-C4'-P energy: -78.848
tors. eta vs tors. theta energy: -129.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1642.093885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.093885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.093885 (E_RNA)
where:
Base-Base interactions energy: -1106.279
where: short stacking energy: -480.256
Base-Backbone interact. energy: -1.969
local terms energy: -533.846291
where:
bonds (distance) C4'-P energy: -87.407
bonds (distance) P-C4' energy: -108.386
flat angles C4'-P-C4' energy: -114.616
flat angles P-C4'-P energy: -77.449
tors. eta vs tors. theta energy: -145.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1516.549352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.549352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.549352 (E_RNA)
where:
Base-Base interactions energy: -1013.867
where: short stacking energy: -428.835
Base-Backbone interact. energy: -3.358
local terms energy: -499.324282
where:
bonds (distance) C4'-P energy: -101.711
bonds (distance) P-C4' energy: -102.709
flat angles C4'-P-C4' energy: -104.563
flat angles P-C4'-P energy: -65.393
tors. eta vs tors. theta energy: -124.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1395.710456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.710456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.710456 (E_RNA)
where:
Base-Base interactions energy: -926.371
where: short stacking energy: -401.282
Base-Backbone interact. energy: -1.845
local terms energy: -467.494404
where:
bonds (distance) C4'-P energy: -89.544
bonds (distance) P-C4' energy: -91.638
flat angles C4'-P-C4' energy: -98.008
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -119.875
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: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1269.246774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.246774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.246774 (E_RNA)
where:
Base-Base interactions energy: -846.732
where: short stacking energy: -357.335
Base-Backbone interact. energy: -3.549
local terms energy: -418.966026
where:
bonds (distance) C4'-P energy: -85.425
bonds (distance) P-C4' energy: -99.042
flat angles C4'-P-C4' energy: -86.840
flat angles P-C4'-P energy: -64.657
tors. eta vs tors. theta energy: -83.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1044.368923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.368923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.368923 (E_RNA)
where:
Base-Base interactions energy: -663.657
where: short stacking energy: -317.724
Base-Backbone interact. energy: -1.907
local terms energy: -378.805650
where:
bonds (distance) C4'-P energy: -85.720
bonds (distance) P-C4' energy: -76.273
flat angles C4'-P-C4' energy: -100.330
flat angles P-C4'-P energy: -57.363
tors. eta vs tors. theta energy: -59.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -849.248283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.248283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.248283 (E_RNA)
where:
Base-Base interactions energy: -520.850
where: short stacking energy: -261.339
Base-Backbone interact. energy: -1.608
local terms energy: -326.790346
where:
bonds (distance) C4'-P energy: -82.569
bonds (distance) P-C4' energy: -98.240
flat angles C4'-P-C4' energy: -68.074
flat angles P-C4'-P energy: -40.047
tors. eta vs tors. theta energy: -37.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -665.834848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.834848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.834848 (E_RNA)
where:
Base-Base interactions energy: -348.628
where: short stacking energy: -180.784
Base-Backbone interact. energy: -0.882
local terms energy: -316.323874
where:
bonds (distance) C4'-P energy: -75.653
bonds (distance) P-C4' energy: -80.815
flat angles C4'-P-C4' energy: -86.619
flat angles P-C4'-P energy: -54.834
tors. eta vs tors. theta energy: -18.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -531.151213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.151213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.151213 (E_RNA)
where:
Base-Base interactions energy: -255.656
where: short stacking energy: -141.881
Base-Backbone interact. energy: -0.519
local terms energy: -274.976582
where:
bonds (distance) C4'-P energy: -90.774
bonds (distance) P-C4' energy: -83.324
flat angles C4'-P-C4' energy: -71.053
flat angles P-C4'-P energy: -42.072
tors. eta vs tors. theta energy: 12.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1770.805218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.805218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.805218 (E_RNA)
where:
Base-Base interactions energy: -1198.810
where: short stacking energy: -515.110
Base-Backbone interact. energy: -1.272
local terms energy: -570.723532
where:
bonds (distance) C4'-P energy: -101.435
bonds (distance) P-C4' energy: -100.450
flat angles C4'-P-C4' energy: -123.994
flat angles P-C4'-P energy: -90.076
tors. eta vs tors. theta energy: -154.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1663.097800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.097800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.097800 (E_RNA)
where:
Base-Base interactions energy: -1143.541
where: short stacking energy: -485.754
Base-Backbone interact. energy: -4.691
local terms energy: -514.865680
where:
bonds (distance) C4'-P energy: -94.349
bonds (distance) P-C4' energy: -87.925
flat angles C4'-P-C4' energy: -107.919
flat angles P-C4'-P energy: -81.087
tors. eta vs tors. theta energy: -143.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1563.641383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.641383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.641383 (E_RNA)
where:
Base-Base interactions energy: -1040.121
where: short stacking energy: -452.936
Base-Backbone interact. energy: -1.324
local terms energy: -522.195454
where:
bonds (distance) C4'-P energy: -98.392
bonds (distance) P-C4' energy: -104.846
flat angles C4'-P-C4' energy: -105.592
flat angles P-C4'-P energy: -82.338
tors. eta vs tors. theta energy: -131.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1552.507896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.507896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.507896 (E_RNA)
where:
Base-Base interactions energy: -1053.438
where: short stacking energy: -458.061
Base-Backbone interact. energy: -2.353
local terms energy: -496.717081
where:
bonds (distance) C4'-P energy: -95.453
bonds (distance) P-C4' energy: -91.081
flat angles C4'-P-C4' energy: -112.322
flat angles P-C4'-P energy: -56.299
tors. eta vs tors. theta energy: -141.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1403.576171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.576171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.576171 (E_RNA)
where:
Base-Base interactions energy: -937.856
where: short stacking energy: -424.528
Base-Backbone interact. energy: -1.646
local terms energy: -464.074265
where:
bonds (distance) C4'-P energy: -89.667
bonds (distance) P-C4' energy: -95.960
flat angles C4'-P-C4' energy: -100.585
flat angles P-C4'-P energy: -54.809
tors. eta vs tors. theta energy: -123.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1246.672896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.672896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.672896 (E_RNA)
where:
Base-Base interactions energy: -835.628
where: short stacking energy: -386.679
Base-Backbone interact. energy: -1.793
local terms energy: -409.251921
where:
bonds (distance) C4'-P energy: -64.727
bonds (distance) P-C4' energy: -97.757
flat angles C4'-P-C4' energy: -93.050
flat angles P-C4'-P energy: -58.786
tors. eta vs tors. theta energy: -94.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1044.746960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.746960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.746960 (E_RNA)
where:
Base-Base interactions energy: -653.524
where: short stacking energy: -289.610
Base-Backbone interact. energy: -3.143
local terms energy: -388.080024
where:
bonds (distance) C4'-P energy: -83.385
bonds (distance) P-C4' energy: -91.760
flat angles C4'-P-C4' energy: -91.589
flat angles P-C4'-P energy: -60.975
tors. eta vs tors. theta energy: -60.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -876.924641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.924641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.924641 (E_RNA)
where:
Base-Base interactions energy: -513.172
where: short stacking energy: -244.410
Base-Backbone interact. energy: 4.903
local terms energy: -368.655662
where:
bonds (distance) C4'-P energy: -90.512
bonds (distance) P-C4' energy: -85.285
flat angles C4'-P-C4' energy: -97.438
flat angles P-C4'-P energy: -48.941
tors. eta vs tors. theta energy: -46.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -775.651326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.651326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.651326 (E_RNA)
where:
Base-Base interactions energy: -439.289
where: short stacking energy: -228.819
Base-Backbone interact. energy: 1.478
local terms energy: -337.840382
where:
bonds (distance) C4'-P energy: -77.982
bonds (distance) P-C4' energy: -86.237
flat angles C4'-P-C4' energy: -92.224
flat angles P-C4'-P energy: -52.487
tors. eta vs tors. theta energy: -28.909
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: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -536.005605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.005605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.005605 (E_RNA)
where:
Base-Base interactions energy: -263.462
where: short stacking energy: -162.714
Base-Backbone interact. energy: -0.616
local terms energy: -271.927902
where:
bonds (distance) C4'-P energy: -81.243
bonds (distance) P-C4' energy: -78.503
flat angles C4'-P-C4' energy: -93.878
flat angles P-C4'-P energy: -26.811
tors. eta vs tors. theta energy: 8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1788.160506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.160506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.160506 (E_RNA)
where:
Base-Base interactions energy: -1230.231
where: short stacking energy: -523.815
Base-Backbone interact. energy: -0.218
local terms energy: -557.711817
where:
bonds (distance) C4'-P energy: -100.391
bonds (distance) P-C4' energy: -107.382
flat angles C4'-P-C4' energy: -118.425
flat angles P-C4'-P energy: -82.397
tors. eta vs tors. theta energy: -149.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1666.858944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.858944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.858944 (E_RNA)
where:
Base-Base interactions energy: -1127.350
where: short stacking energy: -486.989
Base-Backbone interact. energy: -0.422
local terms energy: -539.086797
where:
bonds (distance) C4'-P energy: -106.171
bonds (distance) P-C4' energy: -106.615
flat angles C4'-P-C4' energy: -102.831
flat angles P-C4'-P energy: -83.751
tors. eta vs tors. theta energy: -139.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1577.440962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.440962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.440962 (E_RNA)
where:
Base-Base interactions energy: -1051.637
where: short stacking energy: -458.465
Base-Backbone interact. energy: -1.521
local terms energy: -524.282931
where:
bonds (distance) C4'-P energy: -96.354
bonds (distance) P-C4' energy: -99.731
flat angles C4'-P-C4' energy: -116.350
flat angles P-C4'-P energy: -85.806
tors. eta vs tors. theta energy: -126.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1524.167949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.167949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.167949 (E_RNA)
where:
Base-Base interactions energy: -1043.541
where: short stacking energy: -445.578
Base-Backbone interact. energy: 2.068
local terms energy: -482.695253
where:
bonds (distance) C4'-P energy: -99.555
bonds (distance) P-C4' energy: -93.168
flat angles C4'-P-C4' energy: -97.806
flat angles P-C4'-P energy: -66.121
tors. eta vs tors. theta energy: -126.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1408.578598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.578598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.578598 (E_RNA)
where:
Base-Base interactions energy: -927.380
where: short stacking energy: -412.604
Base-Backbone interact. energy: -2.156
local terms energy: -479.042539
where:
bonds (distance) C4'-P energy: -86.514
bonds (distance) P-C4' energy: -99.496
flat angles C4'-P-C4' energy: -114.261
flat angles P-C4'-P energy: -59.195
tors. eta vs tors. theta energy: -119.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1303.646991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.646991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.646991 (E_RNA)
where:
Base-Base interactions energy: -874.052
where: short stacking energy: -375.187
Base-Backbone interact. energy: -0.684
local terms energy: -428.911169
where:
bonds (distance) C4'-P energy: -82.123
bonds (distance) P-C4' energy: -91.510
flat angles C4'-P-C4' energy: -110.450
flat angles P-C4'-P energy: -51.688
tors. eta vs tors. theta energy: -93.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1061.855134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.855134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.855134 (E_RNA)
where:
Base-Base interactions energy: -674.898
where: short stacking energy: -300.829
Base-Backbone interact. energy: -0.725
local terms energy: -386.232404
where:
bonds (distance) C4'-P energy: -88.038
bonds (distance) P-C4' energy: -95.970
flat angles C4'-P-C4' energy: -87.837
flat angles P-C4'-P energy: -59.821
tors. eta vs tors. theta energy: -54.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -884.189805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.189805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.189805 (E_RNA)
where:
Base-Base interactions energy: -524.358
where: short stacking energy: -276.174
Base-Backbone interact. energy: 0.582
local terms energy: -360.413865
where:
bonds (distance) C4'-P energy: -80.097
bonds (distance) P-C4' energy: -90.673
flat angles C4'-P-C4' energy: -94.627
flat angles P-C4'-P energy: -39.795
tors. eta vs tors. theta energy: -55.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -743.101052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.101052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.101052 (E_RNA)
where:
Base-Base interactions energy: -418.443
where: short stacking energy: -212.975
Base-Backbone interact. energy: -1.323
local terms energy: -323.335271
where:
bonds (distance) C4'-P energy: -82.553
bonds (distance) P-C4' energy: -88.190
flat angles C4'-P-C4' energy: -82.481
flat angles P-C4'-P energy: -37.446
tors. eta vs tors. theta energy: -32.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -511.638663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.638663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.638663 (E_RNA)
where:
Base-Base interactions energy: -250.739
where: short stacking energy: -137.087
Base-Backbone interact. energy: -2.519
local terms energy: -258.380821
where:
bonds (distance) C4'-P energy: -72.257
bonds (distance) P-C4' energy: -82.792
flat angles C4'-P-C4' energy: -67.022
flat angles P-C4'-P energy: -37.079
tors. eta vs tors. theta energy: 0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1804.086847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.086847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.086847 (E_RNA)
where:
Base-Base interactions energy: -1235.525
where: short stacking energy: -525.159
Base-Backbone interact. energy: -2.163
local terms energy: -566.398931
where:
bonds (distance) C4'-P energy: -98.220
bonds (distance) P-C4' energy: -103.377
flat angles C4'-P-C4' energy: -121.686
flat angles P-C4'-P energy: -78.871
tors. eta vs tors. theta energy: -164.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1652.010352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.010352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.010352 (E_RNA)
where:
Base-Base interactions energy: -1118.042
where: short stacking energy: -483.954
Base-Backbone interact. energy: -2.171
local terms energy: -531.796419
where:
bonds (distance) C4'-P energy: -106.895
bonds (distance) P-C4' energy: -97.559
flat angles C4'-P-C4' energy: -112.375
flat angles P-C4'-P energy: -70.663
tors. eta vs tors. theta energy: -144.304
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: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1618.769112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.769112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.769112 (E_RNA)
where:
Base-Base interactions energy: -1086.811
where: short stacking energy: -485.687
Base-Backbone interact. energy: -2.379
local terms energy: -529.579301
where:
bonds (distance) C4'-P energy: -101.353
bonds (distance) P-C4' energy: -106.071
flat angles C4'-P-C4' energy: -112.906
flat angles P-C4'-P energy: -76.575
tors. eta vs tors. theta energy: -132.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1494.026310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.026310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.026310 (E_RNA)
where:
Base-Base interactions energy: -1006.963
where: short stacking energy: -443.634
Base-Backbone interact. energy: -1.831
local terms energy: -485.232693
where:
bonds (distance) C4'-P energy: -89.697
bonds (distance) P-C4' energy: -92.174
flat angles C4'-P-C4' energy: -106.764
flat angles P-C4'-P energy: -79.086
tors. eta vs tors. theta energy: -117.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1402.687659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.687659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.687659 (E_RNA)
where:
Base-Base interactions energy: -933.821
where: short stacking energy: -412.678
Base-Backbone interact. energy: 2.239
local terms energy: -471.105672
where:
bonds (distance) C4'-P energy: -88.898
bonds (distance) P-C4' energy: -95.024
flat angles C4'-P-C4' energy: -95.618
flat angles P-C4'-P energy: -70.980
tors. eta vs tors. theta energy: -120.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1295.870417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.870417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.870417 (E_RNA)
where:
Base-Base interactions energy: -846.076
where: short stacking energy: -368.497
Base-Backbone interact. energy: -1.832
local terms energy: -447.962491
where:
bonds (distance) C4'-P energy: -79.043
bonds (distance) P-C4' energy: -98.479
flat angles C4'-P-C4' energy: -102.775
flat angles P-C4'-P energy: -65.395
tors. eta vs tors. theta energy: -102.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1041.468604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.468604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.468604 (E_RNA)
where:
Base-Base interactions energy: -631.398
where: short stacking energy: -298.897
Base-Backbone interact. energy: 0.650
local terms energy: -410.720466
where:
bonds (distance) C4'-P energy: -87.452
bonds (distance) P-C4' energy: -95.009
flat angles C4'-P-C4' energy: -98.888
flat angles P-C4'-P energy: -69.346
tors. eta vs tors. theta energy: -60.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -946.250429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.250429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.250429 (E_RNA)
where:
Base-Base interactions energy: -592.376
where: short stacking energy: -291.740
Base-Backbone interact. energy: 0.078
local terms energy: -353.952761
where:
bonds (distance) C4'-P energy: -84.152
bonds (distance) P-C4' energy: -68.409
flat angles C4'-P-C4' energy: -94.113
flat angles P-C4'-P energy: -42.904
tors. eta vs tors. theta energy: -64.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -715.285182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.285182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.285182 (E_RNA)
where:
Base-Base interactions energy: -379.602
where: short stacking energy: -189.099
Base-Backbone interact. energy: -1.400
local terms energy: -334.282837
where:
bonds (distance) C4'-P energy: -78.281
bonds (distance) P-C4' energy: -96.056
flat angles C4'-P-C4' energy: -93.734
flat angles P-C4'-P energy: -51.844
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -524.667456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.667456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.667456 (E_RNA)
where:
Base-Base interactions energy: -241.751
where: short stacking energy: -142.531
Base-Backbone interact. energy: -1.719
local terms energy: -281.196615
where:
bonds (distance) C4'-P energy: -73.184
bonds (distance) P-C4' energy: -99.880
flat angles C4'-P-C4' energy: -78.280
flat angles P-C4'-P energy: -36.313
tors. eta vs tors. theta energy: 6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1792.110602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.110602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.110602 (E_RNA)
where:
Base-Base interactions energy: -1248.137
where: short stacking energy: -513.866
Base-Backbone interact. energy: -1.112
local terms energy: -542.862271
where:
bonds (distance) C4'-P energy: -103.948
bonds (distance) P-C4' energy: -92.219
flat angles C4'-P-C4' energy: -114.793
flat angles P-C4'-P energy: -76.592
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: 2, replica: 8
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1689.426058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.426058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.426058 (E_RNA)
where:
Base-Base interactions energy: -1170.244
where: short stacking energy: -509.274
Base-Backbone interact. energy: -3.452
local terms energy: -515.729649
where:
bonds (distance) C4'-P energy: -86.666
bonds (distance) P-C4' energy: -99.981
flat angles C4'-P-C4' energy: -114.080
flat angles P-C4'-P energy: -71.851
tors. eta vs tors. theta energy: -143.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1593.242965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.242965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.242965 (E_RNA)
where:
Base-Base interactions energy: -1068.560
where: short stacking energy: -480.631
Base-Backbone interact. energy: 0.298
local terms energy: -524.980928
where:
bonds (distance) C4'-P energy: -82.389
bonds (distance) P-C4' energy: -105.260
flat angles C4'-P-C4' energy: -121.567
flat angles P-C4'-P energy: -80.134
tors. eta vs tors. theta energy: -135.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1504.604091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.604091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.604091 (E_RNA)
where:
Base-Base interactions energy: -1002.668
where: short stacking energy: -414.168
Base-Backbone interact. energy: -3.012
local terms energy: -498.924331
where:
bonds (distance) C4'-P energy: -89.846
bonds (distance) P-C4' energy: -88.772
flat angles C4'-P-C4' energy: -112.483
flat angles P-C4'-P energy: -76.033
tors. eta vs tors. theta energy: -131.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1353.854538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.854538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.854538 (E_RNA)
where:
Base-Base interactions energy: -875.994
where: short stacking energy: -372.247
Base-Backbone interact. energy: -1.384
local terms energy: -476.476021
where:
bonds (distance) C4'-P energy: -105.932
bonds (distance) P-C4' energy: -92.524
flat angles C4'-P-C4' energy: -108.842
flat angles P-C4'-P energy: -62.598
tors. eta vs tors. theta energy: -106.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1270.162346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.162346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.162346 (E_RNA)
where:
Base-Base interactions energy: -822.360
where: short stacking energy: -355.494
Base-Backbone interact. energy: -2.906
local terms energy: -444.896740
where:
bonds (distance) C4'-P energy: -100.122
bonds (distance) P-C4' energy: -96.177
flat angles C4'-P-C4' energy: -95.921
flat angles P-C4'-P energy: -58.876
tors. eta vs tors. theta energy: -93.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1068.597522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.597522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.597522 (E_RNA)
where:
Base-Base interactions energy: -677.072
where: short stacking energy: -306.166
Base-Backbone interact. energy: 0.106
local terms energy: -391.631148
where:
bonds (distance) C4'-P energy: -90.614
bonds (distance) P-C4' energy: -91.767
flat angles C4'-P-C4' energy: -78.236
flat angles P-C4'-P energy: -61.599
tors. eta vs tors. theta energy: -69.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -891.938651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.938651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.938651 (E_RNA)
where:
Base-Base interactions energy: -530.586
where: short stacking energy: -253.637
Base-Backbone interact. energy: -0.812
local terms energy: -360.541183
where:
bonds (distance) C4'-P energy: -100.002
bonds (distance) P-C4' energy: -75.122
flat angles C4'-P-C4' energy: -90.040
flat angles P-C4'-P energy: -59.377
tors. eta vs tors. theta energy: -36.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -721.802343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.802343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.802343 (E_RNA)
where:
Base-Base interactions energy: -386.440
where: short stacking energy: -204.171
Base-Backbone interact. energy: -1.255
local terms energy: -334.107768
where:
bonds (distance) C4'-P energy: -83.136
bonds (distance) P-C4' energy: -94.299
flat angles C4'-P-C4' energy: -82.908
flat angles P-C4'-P energy: -50.177
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -539.901785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.901785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.901785 (E_RNA)
where:
Base-Base interactions energy: -249.891
where: short stacking energy: -152.707
Base-Backbone interact. energy: -1.242
local terms energy: -288.769572
where:
bonds (distance) C4'-P energy: -70.430
bonds (distance) P-C4' energy: -99.533
flat angles C4'-P-C4' energy: -73.247
flat angles P-C4'-P energy: -38.605
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1788.528264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.528264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.528264 (E_RNA)
where:
Base-Base interactions energy: -1233.078
where: short stacking energy: -518.943
Base-Backbone interact. energy: 0.524
local terms energy: -555.975053
where:
bonds (distance) C4'-P energy: -100.158
bonds (distance) P-C4' energy: -103.102
flat angles C4'-P-C4' energy: -118.406
flat angles P-C4'-P energy: -82.392
tors. eta vs tors. theta energy: -151.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1650.071666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.071666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.071666 (E_RNA)
where:
Base-Base interactions energy: -1101.465
where: short stacking energy: -486.618
Base-Backbone interact. energy: -0.323
local terms energy: -548.283749
where:
bonds (distance) C4'-P energy: -101.829
bonds (distance) P-C4' energy: -105.130
flat angles C4'-P-C4' energy: -119.618
flat angles P-C4'-P energy: -74.238
tors. eta vs tors. theta energy: -147.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1618.958109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.958109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.958109 (E_RNA)
where:
Base-Base interactions energy: -1105.621
where: short stacking energy: -489.523
Base-Backbone interact. energy: -1.130
local terms energy: -512.207144
where:
bonds (distance) C4'-P energy: -90.983
bonds (distance) P-C4' energy: -104.811
flat angles C4'-P-C4' energy: -113.179
flat angles P-C4'-P energy: -64.939
tors. eta vs tors. theta energy: -138.295
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: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1515.964493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.964493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.964493 (E_RNA)
where:
Base-Base interactions energy: -1027.194
where: short stacking energy: -447.689
Base-Backbone interact. energy: 0.205
local terms energy: -488.975014
where:
bonds (distance) C4'-P energy: -90.840
bonds (distance) P-C4' energy: -92.740
flat angles C4'-P-C4' energy: -107.087
flat angles P-C4'-P energy: -65.358
tors. eta vs tors. theta energy: -132.950
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: 6
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1349.952576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.952576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.952576 (E_RNA)
where:
Base-Base interactions energy: -905.094
where: short stacking energy: -387.873
Base-Backbone interact. energy: 2.659
local terms energy: -447.516674
where:
bonds (distance) C4'-P energy: -80.150
bonds (distance) P-C4' energy: -96.839
flat angles C4'-P-C4' energy: -104.194
flat angles P-C4'-P energy: -57.670
tors. eta vs tors. theta energy: -108.663
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: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1269.095932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.095932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.095932 (E_RNA)
where:
Base-Base interactions energy: -841.591
where: short stacking energy: -365.372
Base-Backbone interact. energy: -0.603
local terms energy: -426.901583
where:
bonds (distance) C4'-P energy: -96.826
bonds (distance) P-C4' energy: -94.655
flat angles C4'-P-C4' energy: -82.373
flat angles P-C4'-P energy: -65.693
tors. eta vs tors. theta energy: -87.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1062.834416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.834416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.834416 (E_RNA)
where:
Base-Base interactions energy: -669.223
where: short stacking energy: -307.143
Base-Backbone interact. energy: 1.787
local terms energy: -395.398361
where:
bonds (distance) C4'-P energy: -88.996
bonds (distance) P-C4' energy: -92.752
flat angles C4'-P-C4' energy: -86.267
flat angles P-C4'-P energy: -54.284
tors. eta vs tors. theta energy: -73.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -935.911861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.911861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.911861 (E_RNA)
where:
Base-Base interactions energy: -522.829
where: short stacking energy: -266.007
Base-Backbone interact. energy: -1.665
local terms energy: -411.417357
where:
bonds (distance) C4'-P energy: -98.984
bonds (distance) P-C4' energy: -99.066
flat angles C4'-P-C4' energy: -93.660
flat angles P-C4'-P energy: -63.276
tors. eta vs tors. theta energy: -56.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -740.376563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.376563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.376563 (E_RNA)
where:
Base-Base interactions energy: -398.725
where: short stacking energy: -203.085
Base-Backbone interact. energy: 0.509
local terms energy: -342.160724
where:
bonds (distance) C4'-P energy: -79.044
bonds (distance) P-C4' energy: -97.818
flat angles C4'-P-C4' energy: -82.389
flat angles P-C4'-P energy: -62.316
tors. eta vs tors. theta energy: -20.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -535.335741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.335741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.335741 (E_RNA)
where:
Base-Base interactions energy: -266.440
where: short stacking energy: -128.669
Base-Backbone interact. energy: 4.113
local terms energy: -273.008969
where:
bonds (distance) C4'-P energy: -78.425
bonds (distance) P-C4' energy: -94.996
flat angles C4'-P-C4' energy: -66.919
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: 5.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1796.098358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.098358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.098358 (E_RNA)
where:
Base-Base interactions energy: -1248.632
where: short stacking energy: -520.247
Base-Backbone interact. energy: -0.366
local terms energy: -547.099589
where:
bonds (distance) C4'-P energy: -101.351
bonds (distance) P-C4' energy: -102.988
flat angles C4'-P-C4' energy: -114.917
flat angles P-C4'-P energy: -76.217
tors. eta vs tors. theta energy: -151.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1628.291676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.291676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.291676 (E_RNA)
where:
Base-Base interactions energy: -1117.851
where: short stacking energy: -475.823
Base-Backbone interact. energy: -2.842
local terms energy: -507.598059
where:
bonds (distance) C4'-P energy: -95.569
bonds (distance) P-C4' energy: -102.487
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -68.237
tors. eta vs tors. theta energy: -132.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1621.044258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.044258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.044258 (E_RNA)
where:
Base-Base interactions energy: -1103.004
where: short stacking energy: -488.424
Base-Backbone interact. energy: -1.349
local terms energy: -516.690823
where:
bonds (distance) C4'-P energy: -98.545
bonds (distance) P-C4' energy: -90.664
flat angles C4'-P-C4' energy: -119.187
flat angles P-C4'-P energy: -72.236
tors. eta vs tors. theta energy: -136.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1518.591959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.591959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.591959 (E_RNA)
where:
Base-Base interactions energy: -1021.300
where: short stacking energy: -435.038
Base-Backbone interact. energy: 0.508
local terms energy: -497.800138
where:
bonds (distance) C4'-P energy: -91.931
bonds (distance) P-C4' energy: -94.164
flat angles C4'-P-C4' energy: -106.110
flat angles P-C4'-P energy: -72.523
tors. eta vs tors. theta energy: -133.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1343.781315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.781315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.781315 (E_RNA)
where:
Base-Base interactions energy: -896.560
where: short stacking energy: -390.268
Base-Backbone interact. energy: 2.153
local terms energy: -449.374819
where:
bonds (distance) C4'-P energy: -93.258
bonds (distance) P-C4' energy: -84.288
flat angles C4'-P-C4' energy: -101.168
flat angles P-C4'-P energy: -69.653
tors. eta vs tors. theta energy: -101.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1301.783579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.783579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.783579 (E_RNA)
where:
Base-Base interactions energy: -862.438
where: short stacking energy: -400.185
Base-Backbone interact. energy: 3.315
local terms energy: -442.660960
where:
bonds (distance) C4'-P energy: -100.698
bonds (distance) P-C4' energy: -97.338
flat angles C4'-P-C4' energy: -87.724
flat angles P-C4'-P energy: -53.524
tors. eta vs tors. theta energy: -103.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1094.823608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.823608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.823608 (E_RNA)
where:
Base-Base interactions energy: -705.985
where: short stacking energy: -330.538
Base-Backbone interact. energy: -0.387
local terms energy: -388.451284
where:
bonds (distance) C4'-P energy: -73.342
bonds (distance) P-C4' energy: -83.785
flat angles C4'-P-C4' energy: -95.636
flat angles P-C4'-P energy: -65.858
tors. eta vs tors. theta energy: -69.830
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: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -947.676061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.676061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.676061 (E_RNA)
where:
Base-Base interactions energy: -571.929
where: short stacking energy: -258.004
Base-Backbone interact. energy: 0.057
local terms energy: -375.803735
where:
bonds (distance) C4'-P energy: -101.906
bonds (distance) P-C4' energy: -74.303
flat angles C4'-P-C4' energy: -92.884
flat angles P-C4'-P energy: -59.380
tors. eta vs tors. theta energy: -47.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -705.473170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.473170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.473170 (E_RNA)
where:
Base-Base interactions energy: -396.811
where: short stacking energy: -207.393
Base-Backbone interact. energy: 1.701
local terms energy: -310.363019
where:
bonds (distance) C4'-P energy: -85.626
bonds (distance) P-C4' energy: -104.877
flat angles C4'-P-C4' energy: -60.161
flat angles P-C4'-P energy: -52.025
tors. eta vs tors. theta energy: -7.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -557.860213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.860213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.860213 (E_RNA)
where:
Base-Base interactions energy: -281.601
where: short stacking energy: -155.062
Base-Backbone interact. energy: 2.653
local terms energy: -278.912308
where:
bonds (distance) C4'-P energy: -78.254
bonds (distance) P-C4' energy: -90.623
flat angles C4'-P-C4' energy: -78.547
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: 5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1779.226785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.226785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.226785 (E_RNA)
where:
Base-Base interactions energy: -1230.829
where: short stacking energy: -520.594
Base-Backbone interact. energy: -1.678
local terms energy: -546.720621
where:
bonds (distance) C4'-P energy: -108.039
bonds (distance) P-C4' energy: -101.089
flat angles C4'-P-C4' energy: -111.772
flat angles P-C4'-P energy: -71.408
tors. eta vs tors. theta energy: -154.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1627.845966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.845966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.845966 (E_RNA)
where:
Base-Base interactions energy: -1094.202
where: short stacking energy: -461.134
Base-Backbone interact. energy: -0.123
local terms energy: -533.521012
where:
bonds (distance) C4'-P energy: -100.369
bonds (distance) P-C4' energy: -103.704
flat angles C4'-P-C4' energy: -116.997
flat angles P-C4'-P energy: -82.874
tors. eta vs tors. theta energy: -129.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1608.440627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.440627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.440627 (E_RNA)
where:
Base-Base interactions energy: -1081.611
where: short stacking energy: -479.915
Base-Backbone interact. energy: -2.277
local terms energy: -524.552731
where:
bonds (distance) C4'-P energy: -107.099
bonds (distance) P-C4' energy: -93.800
flat angles C4'-P-C4' energy: -108.213
flat angles P-C4'-P energy: -76.840
tors. eta vs tors. theta energy: -138.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1528.783272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.783272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.783272 (E_RNA)
where:
Base-Base interactions energy: -1044.412
where: short stacking energy: -427.773
Base-Backbone interact. energy: 1.464
local terms energy: -485.834847
where:
bonds (distance) C4'-P energy: -85.849
bonds (distance) P-C4' energy: -102.415
flat angles C4'-P-C4' energy: -100.258
flat angles P-C4'-P energy: -68.227
tors. eta vs tors. theta energy: -129.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1387.847527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.847527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.847527 (E_RNA)
where:
Base-Base interactions energy: -891.052
where: short stacking energy: -400.587
Base-Backbone interact. energy: -0.769
local terms energy: -496.026385
where:
bonds (distance) C4'-P energy: -106.804
bonds (distance) P-C4' energy: -108.551
flat angles C4'-P-C4' energy: -109.983
flat angles P-C4'-P energy: -63.323
tors. eta vs tors. theta energy: -107.364
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: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1289.498345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.498345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.498345 (E_RNA)
where:
Base-Base interactions energy: -850.729
where: short stacking energy: -367.252
Base-Backbone interact. energy: -1.429
local terms energy: -437.341043
where:
bonds (distance) C4'-P energy: -98.246
bonds (distance) P-C4' energy: -76.732
flat angles C4'-P-C4' energy: -103.989
flat angles P-C4'-P energy: -64.331
tors. eta vs tors. theta energy: -94.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1151.845040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.845040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.845040 (E_RNA)
where:
Base-Base interactions energy: -714.544
where: short stacking energy: -338.111
Base-Backbone interact. energy: -1.752
local terms energy: -435.548794
where:
bonds (distance) C4'-P energy: -105.274
bonds (distance) P-C4' energy: -81.382
flat angles C4'-P-C4' energy: -104.044
flat angles P-C4'-P energy: -62.169
tors. eta vs tors. theta energy: -82.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -908.585797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.585797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.585797 (E_RNA)
where:
Base-Base interactions energy: -559.456
where: short stacking energy: -258.777
Base-Backbone interact. energy: -1.496
local terms energy: -347.633969
where:
bonds (distance) C4'-P energy: -82.059
bonds (distance) P-C4' energy: -79.530
flat angles C4'-P-C4' energy: -76.910
flat angles P-C4'-P energy: -64.465
tors. eta vs tors. theta energy: -44.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -701.228901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.228901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.228901 (E_RNA)
where:
Base-Base interactions energy: -390.019
where: short stacking energy: -184.687
Base-Backbone interact. energy: -0.755
local terms energy: -310.455269
where:
bonds (distance) C4'-P energy: -72.683
bonds (distance) P-C4' energy: -94.916
flat angles C4'-P-C4' energy: -83.225
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -544.160393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.160393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.160393 (E_RNA)
where:
Base-Base interactions energy: -264.769
where: short stacking energy: -146.651
Base-Backbone interact. energy: 0.516
local terms energy: -279.907594
where:
bonds (distance) C4'-P energy: -74.399
bonds (distance) P-C4' energy: -87.738
flat angles C4'-P-C4' energy: -64.837
flat angles P-C4'-P energy: -60.787
tors. eta vs tors. theta energy: 7.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1800.187068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.187068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.187068 (E_RNA)
where:
Base-Base interactions energy: -1249.413
where: short stacking energy: -525.810
Base-Backbone interact. energy: 0.072
local terms energy: -550.846028
where:
bonds (distance) C4'-P energy: -98.211
bonds (distance) P-C4' energy: -103.085
flat angles C4'-P-C4' energy: -121.631
flat angles P-C4'-P energy: -73.971
tors. eta vs tors. theta energy: -153.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1664.453613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.453613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.453613 (E_RNA)
where:
Base-Base interactions energy: -1132.754
where: short stacking energy: -464.708
Base-Backbone interact. energy: -1.244
local terms energy: -530.456078
where:
bonds (distance) C4'-P energy: -94.454
bonds (distance) P-C4' energy: -104.893
flat angles C4'-P-C4' energy: -113.121
flat angles P-C4'-P energy: -84.480
tors. eta vs tors. theta energy: -133.508
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: 432
Temperature: 1.000000
Total energy: -1587.875561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.875561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.875561 (E_RNA)
where:
Base-Base interactions energy: -1086.514
where: short stacking energy: -474.242
Base-Backbone interact. energy: -2.332
local terms energy: -499.029212
where:
bonds (distance) C4'-P energy: -81.772
bonds (distance) P-C4' energy: -99.820
flat angles C4'-P-C4' energy: -109.546
flat angles P-C4'-P energy: -78.721
tors. eta vs tors. theta energy: -129.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1517.050892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.050892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.050892 (E_RNA)
where:
Base-Base interactions energy: -1045.113
where: short stacking energy: -440.154
Base-Backbone interact. energy: 2.176
local terms energy: -474.113707
where:
bonds (distance) C4'-P energy: -86.725
bonds (distance) P-C4' energy: -81.093
flat angles C4'-P-C4' energy: -113.435
flat angles P-C4'-P energy: -64.010
tors. eta vs tors. theta energy: -128.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1339.574368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.574368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.574368 (E_RNA)
where:
Base-Base interactions energy: -889.275
where: short stacking energy: -417.029
Base-Backbone interact. energy: -1.302
local terms energy: -448.997967
where:
bonds (distance) C4'-P energy: -90.000
bonds (distance) P-C4' energy: -101.297
flat angles C4'-P-C4' energy: -97.983
flat angles P-C4'-P energy: -46.290
tors. eta vs tors. theta energy: -113.429
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: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1308.919649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.919649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.919649 (E_RNA)
where:
Base-Base interactions energy: -846.313
where: short stacking energy: -365.086
Base-Backbone interact. energy: -2.690
local terms energy: -459.916608
where:
bonds (distance) C4'-P energy: -91.553
bonds (distance) P-C4' energy: -97.593
flat angles C4'-P-C4' energy: -108.068
flat angles P-C4'-P energy: -61.078
tors. eta vs tors. theta energy: -101.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1139.256574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.256574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.256574 (E_RNA)
where:
Base-Base interactions energy: -714.132
where: short stacking energy: -339.855
Base-Backbone interact. energy: -1.625
local terms energy: -423.499564
where:
bonds (distance) C4'-P energy: -92.179
bonds (distance) P-C4' energy: -91.202
flat angles C4'-P-C4' energy: -90.181
flat angles P-C4'-P energy: -57.915
tors. eta vs tors. theta energy: -92.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -948.322619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.322619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.322619 (E_RNA)
where:
Base-Base interactions energy: -589.299
where: short stacking energy: -285.636
Base-Backbone interact. energy: -1.475
local terms energy: -357.548829
where:
bonds (distance) C4'-P energy: -80.236
bonds (distance) P-C4' energy: -77.970
flat angles C4'-P-C4' energy: -89.850
flat angles P-C4'-P energy: -59.662
tors. eta vs tors. theta energy: -49.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -832.515288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.515288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.515288 (E_RNA)
where:
Base-Base interactions energy: -511.085
where: short stacking energy: -244.236
Base-Backbone interact. energy: 0.571
local terms energy: -322.001588
where:
bonds (distance) C4'-P energy: -81.724
bonds (distance) P-C4' energy: -88.226
flat angles C4'-P-C4' energy: -75.816
flat angles P-C4'-P energy: -53.434
tors. eta vs tors. theta energy: -22.802
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: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -560.256348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.256348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.256348 (E_RNA)
where:
Base-Base interactions energy: -277.724
where: short stacking energy: -157.551
Base-Backbone interact. energy: 1.255
local terms energy: -283.786925
where:
bonds (distance) C4'-P energy: -81.724
bonds (distance) P-C4' energy: -80.828
flat angles C4'-P-C4' energy: -88.123
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: 14.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1789.806021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.806021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.806021 (E_RNA)
where:
Base-Base interactions energy: -1227.498
where: short stacking energy: -540.242
Base-Backbone interact. energy: -2.189
local terms energy: -560.119469
where:
bonds (distance) C4'-P energy: -95.581
bonds (distance) P-C4' energy: -103.163
flat angles C4'-P-C4' energy: -115.101
flat angles P-C4'-P energy: -81.623
tors. eta vs tors. theta energy: -164.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1639.556211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.556211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.556211 (E_RNA)
where:
Base-Base interactions energy: -1102.019
where: short stacking energy: -487.898
Base-Backbone interact. energy: -2.410
local terms energy: -535.127293
where:
bonds (distance) C4'-P energy: -98.117
bonds (distance) P-C4' energy: -96.898
flat angles C4'-P-C4' energy: -115.827
flat angles P-C4'-P energy: -88.520
tors. eta vs tors. theta energy: -135.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1577.324157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.324157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.324157 (E_RNA)
where:
Base-Base interactions energy: -1074.931
where: short stacking energy: -456.086
Base-Backbone interact. energy: -0.617
local terms energy: -501.776483
where:
bonds (distance) C4'-P energy: -88.630
bonds (distance) P-C4' energy: -99.810
flat angles C4'-P-C4' energy: -108.210
flat angles P-C4'-P energy: -70.263
tors. eta vs tors. theta energy: -134.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1519.738938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.738938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.738938 (E_RNA)
where:
Base-Base interactions energy: -1016.963
where: short stacking energy: -441.089
Base-Backbone interact. energy: -2.422
local terms energy: -500.353972
where:
bonds (distance) C4'-P energy: -104.873
bonds (distance) P-C4' energy: -88.563
flat angles C4'-P-C4' energy: -104.773
flat angles P-C4'-P energy: -66.388
tors. eta vs tors. theta energy: -135.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1315.545962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.545962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.545962 (E_RNA)
where:
Base-Base interactions energy: -842.741
where: short stacking energy: -361.837
Base-Backbone interact. energy: -2.063
local terms energy: -470.742420
where:
bonds (distance) C4'-P energy: -90.699
bonds (distance) P-C4' energy: -92.592
flat angles C4'-P-C4' energy: -110.978
flat angles P-C4'-P energy: -74.107
tors. eta vs tors. theta energy: -102.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1371.146902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.146902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.146902 (E_RNA)
where:
Base-Base interactions energy: -901.365
where: short stacking energy: -381.082
Base-Backbone interact. energy: -1.265
local terms energy: -468.517291
where:
bonds (distance) C4'-P energy: -97.589
bonds (distance) P-C4' energy: -90.719
flat angles C4'-P-C4' energy: -102.222
flat angles P-C4'-P energy: -59.057
tors. eta vs tors. theta energy: -118.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1106.354452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.354452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.354452 (E_RNA)
where:
Base-Base interactions energy: -689.045
where: short stacking energy: -323.050
Base-Backbone interact. energy: -2.737
local terms energy: -414.573012
where:
bonds (distance) C4'-P energy: -86.762
bonds (distance) P-C4' energy: -91.695
flat angles C4'-P-C4' energy: -100.201
flat angles P-C4'-P energy: -54.548
tors. eta vs tors. theta energy: -81.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -824.340948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.340948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.340948 (E_RNA)
where:
Base-Base interactions energy: -470.857
where: short stacking energy: -221.473
Base-Backbone interact. energy: 0.212
local terms energy: -353.696298
where:
bonds (distance) C4'-P energy: -88.697
bonds (distance) P-C4' energy: -92.227
flat angles C4'-P-C4' energy: -93.259
flat angles P-C4'-P energy: -46.071
tors. eta vs tors. theta energy: -33.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -770.478545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.478545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.478545 (E_RNA)
where:
Base-Base interactions energy: -466.655
where: short stacking energy: -218.225
Base-Backbone interact. energy: 2.214
local terms energy: -306.037457
where:
bonds (distance) C4'-P energy: -91.254
bonds (distance) P-C4' energy: -87.878
flat angles C4'-P-C4' energy: -79.629
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -22.378
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: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -502.143914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.143914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.143914 (E_RNA)
where:
Base-Base interactions energy: -228.160
where: short stacking energy: -122.948
Base-Backbone interact. energy: -3.331
local terms energy: -270.653547
where:
bonds (distance) C4'-P energy: -73.799
bonds (distance) P-C4' energy: -84.471
flat angles C4'-P-C4' energy: -86.503
flat angles P-C4'-P energy: -41.772
tors. eta vs tors. theta energy: 15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1787.790557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.790557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.790557 (E_RNA)
where:
Base-Base interactions energy: -1230.125
where: short stacking energy: -507.033
Base-Backbone interact. energy: -0.821
local terms energy: -556.844973
where:
bonds (distance) C4'-P energy: -105.638
bonds (distance) P-C4' energy: -106.093
flat angles C4'-P-C4' energy: -116.224
flat angles P-C4'-P energy: -69.042
tors. eta vs tors. theta energy: -159.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1682.847174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.847174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.847174 (E_RNA)
where:
Base-Base interactions energy: -1149.809
where: short stacking energy: -491.025
Base-Backbone interact. energy: -2.179
local terms energy: -530.859373
where:
bonds (distance) C4'-P energy: -98.056
bonds (distance) P-C4' energy: -109.185
flat angles C4'-P-C4' energy: -108.806
flat angles P-C4'-P energy: -72.036
tors. eta vs tors. theta energy: -142.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1544.875024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.875024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.875024 (E_RNA)
where:
Base-Base interactions energy: -1063.821
where: short stacking energy: -469.406
Base-Backbone interact. energy: 1.625
local terms energy: -482.678802
where:
bonds (distance) C4'-P energy: -78.020
bonds (distance) P-C4' energy: -99.421
flat angles C4'-P-C4' energy: -107.302
flat angles P-C4'-P energy: -71.060
tors. eta vs tors. theta energy: -126.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1496.380557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.380557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.380557 (E_RNA)
where:
Base-Base interactions energy: -1003.346
where: short stacking energy: -421.835
Base-Backbone interact. energy: -2.132
local terms energy: -490.902114
where:
bonds (distance) C4'-P energy: -96.798
bonds (distance) P-C4' energy: -110.700
flat angles C4'-P-C4' energy: -100.821
flat angles P-C4'-P energy: -57.722
tors. eta vs tors. theta energy: -124.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1404.783769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.783769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.783769 (E_RNA)
where:
Base-Base interactions energy: -955.325
where: short stacking energy: -418.351
Base-Backbone interact. energy: -0.111
local terms energy: -449.347925
where:
bonds (distance) C4'-P energy: -84.835
bonds (distance) P-C4' energy: -95.139
flat angles C4'-P-C4' energy: -96.883
flat angles P-C4'-P energy: -64.395
tors. eta vs tors. theta energy: -108.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1303.801519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.801519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.801519 (E_RNA)
where:
Base-Base interactions energy: -845.275
where: short stacking energy: -362.569
Base-Backbone interact. energy: 1.098
local terms energy: -459.624467
where:
bonds (distance) C4'-P energy: -106.447
bonds (distance) P-C4' energy: -97.713
flat angles C4'-P-C4' energy: -100.498
flat angles P-C4'-P energy: -62.618
tors. eta vs tors. theta energy: -92.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1105.553636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.553636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.553636 (E_RNA)
where:
Base-Base interactions energy: -737.989
where: short stacking energy: -321.089
Base-Backbone interact. energy: 2.506
local terms energy: -370.070055
where:
bonds (distance) C4'-P energy: -85.857
bonds (distance) P-C4' energy: -66.816
flat angles C4'-P-C4' energy: -84.349
flat angles P-C4'-P energy: -61.366
tors. eta vs tors. theta energy: -71.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -883.562732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.562732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.562732 (E_RNA)
where:
Base-Base interactions energy: -526.166
where: short stacking energy: -248.085
Base-Backbone interact. energy: 10.290
local terms energy: -367.686829
where:
bonds (distance) C4'-P energy: -87.300
bonds (distance) P-C4' energy: -91.890
flat angles C4'-P-C4' energy: -71.368
flat angles P-C4'-P energy: -70.911
tors. eta vs tors. theta energy: -46.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -777.962639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.962639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.962639 (E_RNA)
where:
Base-Base interactions energy: -455.339
where: short stacking energy: -203.840
Base-Backbone interact. energy: -2.094
local terms energy: -320.529837
where:
bonds (distance) C4'-P energy: -84.512
bonds (distance) P-C4' energy: -97.734
flat angles C4'-P-C4' energy: -82.460
flat angles P-C4'-P energy: -40.468
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -510.150611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.150611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.150611 (E_RNA)
where:
Base-Base interactions energy: -267.629
where: short stacking energy: -174.111
Base-Backbone interact. energy: -2.414
local terms energy: -240.835296
where:
bonds (distance) C4'-P energy: -86.996
bonds (distance) P-C4' energy: -69.857
flat angles C4'-P-C4' energy: -58.565
flat angles P-C4'-P energy: -25.432
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.728 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1799.861039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.861039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.861039 (E_RNA)
where:
Base-Base interactions energy: -1241.182
where: short stacking energy: -526.318
Base-Backbone interact. energy: -0.111
local terms energy: -558.567211
where:
bonds (distance) C4'-P energy: -95.051
bonds (distance) P-C4' energy: -114.228
flat angles C4'-P-C4' energy: -118.334
flat angles P-C4'-P energy: -74.146
tors. eta vs tors. theta energy: -156.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1665.421704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.421704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.421704 (E_RNA)
where:
Base-Base interactions energy: -1153.789
where: short stacking energy: -501.894
Base-Backbone interact. energy: 2.792
local terms energy: -514.425388
where:
bonds (distance) C4'-P energy: -96.057
bonds (distance) P-C4' energy: -94.859
flat angles C4'-P-C4' energy: -107.243
flat angles P-C4'-P energy: -78.966
tors. eta vs tors. theta energy: -137.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1551.978342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.978342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.978342 (E_RNA)
where:
Base-Base interactions energy: -1050.111
where: short stacking energy: -449.534
Base-Backbone interact. energy: -3.667
local terms energy: -498.200081
where:
bonds (distance) C4'-P energy: -91.701
bonds (distance) P-C4' energy: -100.278
flat angles C4'-P-C4' energy: -96.018
flat angles P-C4'-P energy: -80.806
tors. eta vs tors. theta energy: -129.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1502.011512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.011512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.011512 (E_RNA)
where:
Base-Base interactions energy: -1040.387
where: short stacking energy: -457.277
Base-Backbone interact. energy: 0.413
local terms energy: -462.038437
where:
bonds (distance) C4'-P energy: -84.492
bonds (distance) P-C4' energy: -84.811
flat angles C4'-P-C4' energy: -102.649
flat angles P-C4'-P energy: -55.009
tors. eta vs tors. theta energy: -135.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1479.288115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.288115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.288115 (E_RNA)
where:
Base-Base interactions energy: -992.597
where: short stacking energy: -431.033
Base-Backbone interact. energy: -1.601
local terms energy: -485.090454
where:
bonds (distance) C4'-P energy: -91.883
bonds (distance) P-C4' energy: -88.994
flat angles C4'-P-C4' energy: -104.602
flat angles P-C4'-P energy: -72.815
tors. eta vs tors. theta energy: -126.796
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: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1328.017468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.017468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.017468 (E_RNA)
where:
Base-Base interactions energy: -866.773
where: short stacking energy: -368.032
Base-Backbone interact. energy: -0.904
local terms energy: -460.340637
where:
bonds (distance) C4'-P energy: -105.195
bonds (distance) P-C4' energy: -92.336
flat angles C4'-P-C4' energy: -109.990
flat angles P-C4'-P energy: -46.277
tors. eta vs tors. theta energy: -106.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1141.097365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.097365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.097365 (E_RNA)
where:
Base-Base interactions energy: -743.047
where: short stacking energy: -320.157
Base-Backbone interact. energy: -0.066
local terms energy: -397.983807
where:
bonds (distance) C4'-P energy: -90.745
bonds (distance) P-C4' energy: -99.143
flat angles C4'-P-C4' energy: -79.335
flat angles P-C4'-P energy: -57.941
tors. eta vs tors. theta energy: -70.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -906.645871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.645871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.645871 (E_RNA)
where:
Base-Base interactions energy: -556.632
where: short stacking energy: -257.662
Base-Backbone interact. energy: -0.431
local terms energy: -349.582329
where:
bonds (distance) C4'-P energy: -98.925
bonds (distance) P-C4' energy: -72.551
flat angles C4'-P-C4' energy: -71.775
flat angles P-C4'-P energy: -62.290
tors. eta vs tors. theta energy: -44.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -808.724203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.724203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.724203 (E_RNA)
where:
Base-Base interactions energy: -480.587
where: short stacking energy: -228.194
Base-Backbone interact. energy: 0.362
local terms energy: -328.499399
where:
bonds (distance) C4'-P energy: -75.023
bonds (distance) P-C4' energy: -83.820
flat angles C4'-P-C4' energy: -78.363
flat angles P-C4'-P energy: -52.013
tors. eta vs tors. theta energy: -39.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -511.987604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.987604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.987604 (E_RNA)
where:
Base-Base interactions energy: -226.117
where: short stacking energy: -132.653
Base-Backbone interact. energy: -0.957
local terms energy: -284.913243
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -90.034
flat angles C4'-P-C4' energy: -89.745
flat angles P-C4'-P energy: -43.575
tors. eta vs tors. theta energy: 5.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1792.948119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.948119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.948119 (E_RNA)
where:
Base-Base interactions energy: -1235.495
where: short stacking energy: -532.343
Base-Backbone interact. energy: -2.133
local terms energy: -555.319819
where:
bonds (distance) C4'-P energy: -101.501
bonds (distance) P-C4' energy: -104.738
flat angles C4'-P-C4' energy: -115.856
flat angles P-C4'-P energy: -82.144
tors. eta vs tors. theta energy: -151.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1657.564758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.564758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.564758 (E_RNA)
where:
Base-Base interactions energy: -1137.325
where: short stacking energy: -478.045
Base-Backbone interact. energy: 0.541
local terms energy: -520.780578
where:
bonds (distance) C4'-P energy: -96.466
bonds (distance) P-C4' energy: -111.000
flat angles C4'-P-C4' energy: -101.708
flat angles P-C4'-P energy: -79.444
tors. eta vs tors. theta energy: -132.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1591.261174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.261174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.261174 (E_RNA)
where:
Base-Base interactions energy: -1073.128
where: short stacking energy: -458.553
Base-Backbone interact. energy: -1.773
local terms energy: -516.361037
where:
bonds (distance) C4'-P energy: -98.811
bonds (distance) P-C4' energy: -102.114
flat angles C4'-P-C4' energy: -100.493
flat angles P-C4'-P energy: -78.953
tors. eta vs tors. theta energy: -135.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1510.467832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.467832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.467832 (E_RNA)
where:
Base-Base interactions energy: -1026.214
where: short stacking energy: -443.252
Base-Backbone interact. energy: 0.075
local terms energy: -484.328945
where:
bonds (distance) C4'-P energy: -72.333
bonds (distance) P-C4' energy: -96.799
flat angles C4'-P-C4' energy: -109.257
flat angles P-C4'-P energy: -77.259
tors. eta vs tors. theta energy: -128.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1452.738805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.738805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.738805 (E_RNA)
where:
Base-Base interactions energy: -989.424
where: short stacking energy: -426.499
Base-Backbone interact. energy: -1.516
local terms energy: -461.799445
where:
bonds (distance) C4'-P energy: -84.774
bonds (distance) P-C4' energy: -79.511
flat angles C4'-P-C4' energy: -103.220
flat angles P-C4'-P energy: -67.404
tors. eta vs tors. theta energy: -126.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1293.058710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.058710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.058710 (E_RNA)
where:
Base-Base interactions energy: -868.689
where: short stacking energy: -380.431
Base-Backbone interact. energy: 0.520
local terms energy: -424.889885
where:
bonds (distance) C4'-P energy: -73.637
bonds (distance) P-C4' energy: -93.627
flat angles C4'-P-C4' energy: -106.943
flat angles P-C4'-P energy: -53.466
tors. eta vs tors. theta energy: -97.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1110.663272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.663272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.663272 (E_RNA)
where:
Base-Base interactions energy: -709.791
where: short stacking energy: -327.898
Base-Backbone interact. energy: -2.082
local terms energy: -398.790005
where:
bonds (distance) C4'-P energy: -82.363
bonds (distance) P-C4' energy: -96.784
flat angles C4'-P-C4' energy: -79.234
flat angles P-C4'-P energy: -60.487
tors. eta vs tors. theta energy: -79.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -925.912331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.912331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.912331 (E_RNA)
where:
Base-Base interactions energy: -569.242
where: short stacking energy: -250.266
Base-Backbone interact. energy: -0.512
local terms energy: -356.157794
where:
bonds (distance) C4'-P energy: -82.141
bonds (distance) P-C4' energy: -87.901
flat angles C4'-P-C4' energy: -87.217
flat angles P-C4'-P energy: -51.788
tors. eta vs tors. theta energy: -47.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -796.571944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.571944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.571944 (E_RNA)
where:
Base-Base interactions energy: -464.150
where: short stacking energy: -224.799
Base-Backbone interact. energy: -1.541
local terms energy: -330.881700
where:
bonds (distance) C4'-P energy: -71.101
bonds (distance) P-C4' energy: -99.511
flat angles C4'-P-C4' energy: -68.636
flat angles P-C4'-P energy: -53.301
tors. eta vs tors. theta energy: -38.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -568.188896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.188896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.188896 (E_RNA)
where:
Base-Base interactions energy: -280.950
where: short stacking energy: -160.977
Base-Backbone interact. energy: -2.112
local terms energy: -285.126449
where:
bonds (distance) C4'-P energy: -82.205
bonds (distance) P-C4' energy: -101.280
flat angles C4'-P-C4' energy: -38.375
flat angles P-C4'-P energy: -58.407
tors. eta vs tors. theta energy: -4.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1811.823218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.823218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.823218 (E_RNA)
where:
Base-Base interactions energy: -1232.447
where: short stacking energy: -529.150
Base-Backbone interact. energy: -2.583
local terms energy: -576.793521
where:
bonds (distance) C4'-P energy: -109.856
bonds (distance) P-C4' energy: -101.504
flat angles C4'-P-C4' energy: -113.749
flat angles P-C4'-P energy: -86.572
tors. eta vs tors. theta energy: -165.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1614.648221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.648221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.648221 (E_RNA)
where:
Base-Base interactions energy: -1065.960
where: short stacking energy: -470.175
Base-Backbone interact. energy: -3.232
local terms energy: -545.456040
where:
bonds (distance) C4'-P energy: -103.891
bonds (distance) P-C4' energy: -105.222
flat angles C4'-P-C4' energy: -119.741
flat angles P-C4'-P energy: -74.108
tors. eta vs tors. theta energy: -142.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1604.607992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.607992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.607992 (E_RNA)
where:
Base-Base interactions energy: -1104.606
where: short stacking energy: -461.460
Base-Backbone interact. energy: -2.051
local terms energy: -497.951045
where:
bonds (distance) C4'-P energy: -98.679
bonds (distance) P-C4' energy: -87.579
flat angles C4'-P-C4' energy: -113.327
flat angles P-C4'-P energy: -61.700
tors. eta vs tors. theta energy: -136.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1517.732204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.732204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.732204 (E_RNA)
where:
Base-Base interactions energy: -1040.199
where: short stacking energy: -475.823
Base-Backbone interact. energy: -1.772
local terms energy: -475.761395
where:
bonds (distance) C4'-P energy: -87.467
bonds (distance) P-C4' energy: -75.961
flat angles C4'-P-C4' energy: -105.821
flat angles P-C4'-P energy: -66.512
tors. eta vs tors. theta energy: -140.001
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: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1410.409391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.409391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.409391 (E_RNA)
where:
Base-Base interactions energy: -944.543
where: short stacking energy: -407.741
Base-Backbone interact. energy: 3.478
local terms energy: -469.343696
where:
bonds (distance) C4'-P energy: -82.944
bonds (distance) P-C4' energy: -101.484
flat angles C4'-P-C4' energy: -104.595
flat angles P-C4'-P energy: -65.991
tors. eta vs tors. theta energy: -114.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1265.543404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.543404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.543404 (E_RNA)
where:
Base-Base interactions energy: -855.744
where: short stacking energy: -384.376
Base-Backbone interact. energy: -0.477
local terms energy: -409.321950
where:
bonds (distance) C4'-P energy: -80.556
bonds (distance) P-C4' energy: -83.566
flat angles C4'-P-C4' energy: -100.285
flat angles P-C4'-P energy: -60.387
tors. eta vs tors. theta energy: -84.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1070.490942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.490942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.490942 (E_RNA)
where:
Base-Base interactions energy: -675.265
where: short stacking energy: -288.491
Base-Backbone interact. energy: 1.487
local terms energy: -396.713295
where:
bonds (distance) C4'-P energy: -82.397
bonds (distance) P-C4' energy: -93.543
flat angles C4'-P-C4' energy: -84.624
flat angles P-C4'-P energy: -70.268
tors. eta vs tors. theta energy: -65.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -799.623274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.623274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.623274 (E_RNA)
where:
Base-Base interactions energy: -470.460
where: short stacking energy: -227.211
Base-Backbone interact. energy: 4.521
local terms energy: -333.684371
where:
bonds (distance) C4'-P energy: -83.229
bonds (distance) P-C4' energy: -84.234
flat angles C4'-P-C4' energy: -91.201
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -30.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -867.811594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.811594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.811594 (E_RNA)
where:
Base-Base interactions energy: -552.900
where: short stacking energy: -280.303
Base-Backbone interact. energy: -0.631
local terms energy: -314.279751
where:
bonds (distance) C4'-P energy: -80.252
bonds (distance) P-C4' energy: -74.919
flat angles C4'-P-C4' energy: -87.309
flat angles P-C4'-P energy: -30.730
tors. eta vs tors. theta energy: -41.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -547.296750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.296750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.296750 (E_RNA)
where:
Base-Base interactions energy: -255.521
where: short stacking energy: -141.123
Base-Backbone interact. energy: -0.015
local terms energy: -291.760493
where:
bonds (distance) C4'-P energy: -88.220
bonds (distance) P-C4' energy: -91.513
flat angles C4'-P-C4' energy: -71.675
flat angles P-C4'-P energy: -44.205
tors. eta vs tors. theta energy: 3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1791.368267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.368267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.368267 (E_RNA)
where:
Base-Base interactions energy: -1226.604
where: short stacking energy: -521.440
Base-Backbone interact. energy: -1.167
local terms energy: -563.597508
where:
bonds (distance) C4'-P energy: -101.427
bonds (distance) P-C4' energy: -102.988
flat angles C4'-P-C4' energy: -119.310
flat angles P-C4'-P energy: -80.047
tors. eta vs tors. theta energy: -159.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1594.355259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.355259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.355259 (E_RNA)
where:
Base-Base interactions energy: -1101.259
where: short stacking energy: -469.214
Base-Backbone interact. energy: -3.906
local terms energy: -489.190820
where:
bonds (distance) C4'-P energy: -90.625
bonds (distance) P-C4' energy: -94.413
flat angles C4'-P-C4' energy: -102.627
flat angles P-C4'-P energy: -76.997
tors. eta vs tors. theta energy: -124.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1643.648884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.648884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.648884 (E_RNA)
where:
Base-Base interactions energy: -1122.158
where: short stacking energy: -479.677
Base-Backbone interact. energy: -2.403
local terms energy: -519.087757
where:
bonds (distance) C4'-P energy: -90.551
bonds (distance) P-C4' energy: -94.252
flat angles C4'-P-C4' energy: -116.718
flat angles P-C4'-P energy: -72.663
tors. eta vs tors. theta energy: -144.904
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: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1523.270789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.270789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.270789 (E_RNA)
where:
Base-Base interactions energy: -1017.825
where: short stacking energy: -450.058
Base-Backbone interact. energy: -1.005
local terms energy: -504.440130
where:
bonds (distance) C4'-P energy: -102.423
bonds (distance) P-C4' energy: -98.109
flat angles C4'-P-C4' energy: -102.848
flat angles P-C4'-P energy: -65.842
tors. eta vs tors. theta energy: -135.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1421.206818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.206818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.206818 (E_RNA)
where:
Base-Base interactions energy: -950.052
where: short stacking energy: -433.537
Base-Backbone interact. energy: -1.082
local terms energy: -470.072270
where:
bonds (distance) C4'-P energy: -98.231
bonds (distance) P-C4' energy: -95.278
flat angles C4'-P-C4' energy: -87.387
flat angles P-C4'-P energy: -60.500
tors. eta vs tors. theta energy: -128.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1255.013494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.013494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.013494 (E_RNA)
where:
Base-Base interactions energy: -819.191
where: short stacking energy: -341.603
Base-Backbone interact. energy: -3.787
local terms energy: -432.035839
where:
bonds (distance) C4'-P energy: -87.212
bonds (distance) P-C4' energy: -86.451
flat angles C4'-P-C4' energy: -104.856
flat angles P-C4'-P energy: -56.171
tors. eta vs tors. theta energy: -97.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1109.477021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.477021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.477021 (E_RNA)
where:
Base-Base interactions energy: -706.730
where: short stacking energy: -337.386
Base-Backbone interact. energy: 1.207
local terms energy: -403.953526
where:
bonds (distance) C4'-P energy: -94.323
bonds (distance) P-C4' energy: -88.751
flat angles C4'-P-C4' energy: -99.188
flat angles P-C4'-P energy: -57.451
tors. eta vs tors. theta energy: -64.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -824.444760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.444760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.444760 (E_RNA)
where:
Base-Base interactions energy: -474.843
where: short stacking energy: -237.044
Base-Backbone interact. energy: -1.298
local terms energy: -348.303535
where:
bonds (distance) C4'-P energy: -84.598
bonds (distance) P-C4' energy: -93.001
flat angles C4'-P-C4' energy: -83.240
flat angles P-C4'-P energy: -43.896
tors. eta vs tors. theta energy: -43.568
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: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -881.587054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.587054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.587054 (E_RNA)
where:
Base-Base interactions energy: -529.026
where: short stacking energy: -235.803
Base-Backbone interact. energy: 2.801
local terms energy: -355.362442
where:
bonds (distance) C4'-P energy: -91.721
bonds (distance) P-C4' energy: -90.970
flat angles C4'-P-C4' energy: -77.280
flat angles P-C4'-P energy: -51.553
tors. eta vs tors. theta energy: -43.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -600.547012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.547012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.547012 (E_RNA)
where:
Base-Base interactions energy: -322.893
where: short stacking energy: -181.579
Base-Backbone interact. energy: 1.790
local terms energy: -279.444066
where:
bonds (distance) C4'-P energy: -83.833
bonds (distance) P-C4' energy: -67.065
flat angles C4'-P-C4' energy: -73.937
flat angles P-C4'-P energy: -48.332
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1796.869023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.869023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.869023 (E_RNA)
where:
Base-Base interactions energy: -1249.750
where: short stacking energy: -518.079
Base-Backbone interact. energy: 1.150
local terms energy: -548.269284
where:
bonds (distance) C4'-P energy: -90.824
bonds (distance) P-C4' energy: -98.472
flat angles C4'-P-C4' energy: -118.325
flat angles P-C4'-P energy: -86.237
tors. eta vs tors. theta energy: -154.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1674.298880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.298880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.298880 (E_RNA)
where:
Base-Base interactions energy: -1150.835
where: short stacking energy: -473.704
Base-Backbone interact. energy: -1.627
local terms energy: -521.837196
where:
bonds (distance) C4'-P energy: -98.992
bonds (distance) P-C4' energy: -102.935
flat angles C4'-P-C4' energy: -110.006
flat angles P-C4'-P energy: -72.023
tors. eta vs tors. theta energy: -137.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1577.459378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.459378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.459378 (E_RNA)
where:
Base-Base interactions energy: -1077.648
where: short stacking energy: -451.100
Base-Backbone interact. energy: -1.138
local terms energy: -498.672809
where:
bonds (distance) C4'-P energy: -90.167
bonds (distance) P-C4' energy: -96.622
flat angles C4'-P-C4' energy: -108.246
flat angles P-C4'-P energy: -82.289
tors. eta vs tors. theta energy: -121.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1539.365786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.365786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.365786 (E_RNA)
where:
Base-Base interactions energy: -1077.564
where: short stacking energy: -458.303
Base-Backbone interact. energy: -2.700
local terms energy: -459.101703
where:
bonds (distance) C4'-P energy: -90.392
bonds (distance) P-C4' energy: -94.066
flat angles C4'-P-C4' energy: -103.863
flat angles P-C4'-P energy: -40.671
tors. eta vs tors. theta energy: -130.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1459.236835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.236835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.236835 (E_RNA)
where:
Base-Base interactions energy: -980.378
where: short stacking energy: -404.406
Base-Backbone interact. energy: -2.132
local terms energy: -476.726122
where:
bonds (distance) C4'-P energy: -82.253
bonds (distance) P-C4' energy: -87.903
flat angles C4'-P-C4' energy: -109.940
flat angles P-C4'-P energy: -67.580
tors. eta vs tors. theta energy: -129.050
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: 6, replica: 9
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1293.444692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.444692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.444692 (E_RNA)
where:
Base-Base interactions energy: -862.353
where: short stacking energy: -370.492
Base-Backbone interact. energy: -1.392
local terms energy: -429.700011
where:
bonds (distance) C4'-P energy: -96.150
bonds (distance) P-C4' energy: -96.999
flat angles C4'-P-C4' energy: -91.034
flat angles P-C4'-P energy: -59.720
tors. eta vs tors. theta energy: -85.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1065.206183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.206183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.206183 (E_RNA)
where:
Base-Base interactions energy: -660.991
where: short stacking energy: -315.128
Base-Backbone interact. energy: 2.917
local terms energy: -407.132768
where:
bonds (distance) C4'-P energy: -81.420
bonds (distance) P-C4' energy: -97.675
flat angles C4'-P-C4' energy: -90.571
flat angles P-C4'-P energy: -65.534
tors. eta vs tors. theta energy: -71.933
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: 7
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -939.890255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.890255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.890255 (E_RNA)
where:
Base-Base interactions energy: -580.227
where: short stacking energy: -283.831
Base-Backbone interact. energy: 2.434
local terms energy: -362.097306
where:
bonds (distance) C4'-P energy: -83.038
bonds (distance) P-C4' energy: -85.752
flat angles C4'-P-C4' energy: -74.214
flat angles P-C4'-P energy: -64.509
tors. eta vs tors. theta energy: -54.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -766.928970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.928970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.928970 (E_RNA)
where:
Base-Base interactions energy: -450.205
where: short stacking energy: -199.752
Base-Backbone interact. energy: -0.558
local terms energy: -316.165632
where:
bonds (distance) C4'-P energy: -79.857
bonds (distance) P-C4' energy: -85.874
flat angles C4'-P-C4' energy: -74.635
flat angles P-C4'-P energy: -55.366
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -538.669357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.669357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.669357 (E_RNA)
where:
Base-Base interactions energy: -281.204
where: short stacking energy: -140.727
Base-Backbone interact. energy: 2.463
local terms energy: -259.928533
where:
bonds (distance) C4'-P energy: -71.588
bonds (distance) P-C4' energy: -95.602
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -44.385
tors. eta vs tors. theta energy: 3.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1799.454685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.454685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.454685 (E_RNA)
where:
Base-Base interactions energy: -1232.673
where: short stacking energy: -534.030
Base-Backbone interact. energy: -2.666
local terms energy: -564.115784
where:
bonds (distance) C4'-P energy: -99.176
bonds (distance) P-C4' energy: -106.794
flat angles C4'-P-C4' energy: -114.751
flat angles P-C4'-P energy: -80.192
tors. eta vs tors. theta energy: -163.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1669.707070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.707070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.707070 (E_RNA)
where:
Base-Base interactions energy: -1143.030
where: short stacking energy: -494.681
Base-Backbone interact. energy: -1.828
local terms energy: -524.849862
where:
bonds (distance) C4'-P energy: -94.657
bonds (distance) P-C4' energy: -100.635
flat angles C4'-P-C4' energy: -113.019
flat angles P-C4'-P energy: -69.854
tors. eta vs tors. theta energy: -146.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1569.882335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.882335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.882335 (E_RNA)
where:
Base-Base interactions energy: -1084.478
where: short stacking energy: -437.820
Base-Backbone interact. energy: 4.793
local terms energy: -490.197832
where:
bonds (distance) C4'-P energy: -102.943
bonds (distance) P-C4' energy: -94.608
flat angles C4'-P-C4' energy: -95.162
flat angles P-C4'-P energy: -73.075
tors. eta vs tors. theta energy: -124.410
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: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1506.848681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.848681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.848681 (E_RNA)
where:
Base-Base interactions energy: -1017.414
where: short stacking energy: -427.545
Base-Backbone interact. energy: -2.392
local terms energy: -487.042304
where:
bonds (distance) C4'-P energy: -83.158
bonds (distance) P-C4' energy: -96.543
flat angles C4'-P-C4' energy: -111.428
flat angles P-C4'-P energy: -69.189
tors. eta vs tors. theta energy: -126.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1419.505171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.505171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.505171 (E_RNA)
where:
Base-Base interactions energy: -938.832
where: short stacking energy: -401.912
Base-Backbone interact. energy: -1.135
local terms energy: -479.537434
where:
bonds (distance) C4'-P energy: -98.395
bonds (distance) P-C4' energy: -90.530
flat angles C4'-P-C4' energy: -106.845
flat angles P-C4'-P energy: -57.916
tors. eta vs tors. theta energy: -125.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1276.638759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.638759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.638759 (E_RNA)
where:
Base-Base interactions energy: -844.172
where: short stacking energy: -360.698
Base-Backbone interact. energy: 2.094
local terms energy: -434.561049
where:
bonds (distance) C4'-P energy: -95.323
bonds (distance) P-C4' energy: -80.872
flat angles C4'-P-C4' energy: -93.985
flat angles P-C4'-P energy: -66.772
tors. eta vs tors. theta energy: -97.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1066.922982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.922982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.922982 (E_RNA)
where:
Base-Base interactions energy: -701.949
where: short stacking energy: -312.699
Base-Backbone interact. energy: -0.126
local terms energy: -364.848525
where:
bonds (distance) C4'-P energy: -70.402
bonds (distance) P-C4' energy: -97.167
flat angles C4'-P-C4' energy: -79.203
flat angles P-C4'-P energy: -47.058
tors. eta vs tors. theta energy: -71.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -937.230051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.230051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.230051 (E_RNA)
where:
Base-Base interactions energy: -560.224
where: short stacking energy: -268.555
Base-Backbone interact. energy: -1.225
local terms energy: -375.781019
where:
bonds (distance) C4'-P energy: -85.252
bonds (distance) P-C4' energy: -91.060
flat angles C4'-P-C4' energy: -95.193
flat angles P-C4'-P energy: -61.810
tors. eta vs tors. theta energy: -42.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -735.318656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.318656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.318656 (E_RNA)
where:
Base-Base interactions energy: -434.683
where: short stacking energy: -204.079
Base-Backbone interact. energy: -1.608
local terms energy: -299.027829
where:
bonds (distance) C4'-P energy: -85.438
bonds (distance) P-C4' energy: -92.214
flat angles C4'-P-C4' energy: -62.490
flat angles P-C4'-P energy: -48.417
tors. eta vs tors. theta energy: -10.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -597.502763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.502763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.502763 (E_RNA)
where:
Base-Base interactions energy: -293.757
where: short stacking energy: -158.729
Base-Backbone interact. energy: 3.098
local terms energy: -306.844157
where:
bonds (distance) C4'-P energy: -86.865
bonds (distance) P-C4' energy: -77.858
flat angles C4'-P-C4' energy: -89.933
flat angles P-C4'-P energy: -53.395
tors. eta vs tors. theta energy: 1.207
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: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1793.005565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.005565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.005565 (E_RNA)
where:
Base-Base interactions energy: -1226.199
where: short stacking energy: -533.647
Base-Backbone interact. energy: -2.715
local terms energy: -564.091692
where:
bonds (distance) C4'-P energy: -95.857
bonds (distance) P-C4' energy: -110.467
flat angles C4'-P-C4' energy: -121.039
flat angles P-C4'-P energy: -79.312
tors. eta vs tors. theta energy: -157.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1685.983818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.983818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.983818 (E_RNA)
where:
Base-Base interactions energy: -1157.408
where: short stacking energy: -485.771
Base-Backbone interact. energy: 0.254
local terms energy: -528.829665
where:
bonds (distance) C4'-P energy: -99.558
bonds (distance) P-C4' energy: -100.834
flat angles C4'-P-C4' energy: -107.428
flat angles P-C4'-P energy: -80.411
tors. eta vs tors. theta energy: -140.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1612.302194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.302194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.302194 (E_RNA)
where:
Base-Base interactions energy: -1087.513
where: short stacking energy: -482.202
Base-Backbone interact. energy: 0.129
local terms energy: -524.917997
where:
bonds (distance) C4'-P energy: -100.873
bonds (distance) P-C4' energy: -99.288
flat angles C4'-P-C4' energy: -110.778
flat angles P-C4'-P energy: -75.228
tors. eta vs tors. theta energy: -138.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1530.107539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.107539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.107539 (E_RNA)
where:
Base-Base interactions energy: -1054.608
where: short stacking energy: -449.451
Base-Backbone interact. energy: -0.839
local terms energy: -474.660789
where:
bonds (distance) C4'-P energy: -95.946
bonds (distance) P-C4' energy: -83.261
flat angles C4'-P-C4' energy: -95.176
flat angles P-C4'-P energy: -65.786
tors. eta vs tors. theta energy: -134.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1485.078275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.078275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.078275 (E_RNA)
where:
Base-Base interactions energy: -993.141
where: short stacking energy: -427.751
Base-Backbone interact. energy: -0.258
local terms energy: -491.678933
where:
bonds (distance) C4'-P energy: -98.852
bonds (distance) P-C4' energy: -97.435
flat angles C4'-P-C4' energy: -100.666
flat angles P-C4'-P energy: -65.188
tors. eta vs tors. theta energy: -129.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1279.242476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.242476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.242476 (E_RNA)
where:
Base-Base interactions energy: -851.879
where: short stacking energy: -371.204
Base-Backbone interact. energy: -1.505
local terms energy: -425.858460
where:
bonds (distance) C4'-P energy: -71.092
bonds (distance) P-C4' energy: -108.802
flat angles C4'-P-C4' energy: -74.001
flat angles P-C4'-P energy: -64.573
tors. eta vs tors. theta energy: -107.390
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: 1
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1078.718504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.718504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.718504 (E_RNA)
where:
Base-Base interactions energy: -675.584
where: short stacking energy: -323.346
Base-Backbone interact. energy: -0.487
local terms energy: -402.647277
where:
bonds (distance) C4'-P energy: -78.478
bonds (distance) P-C4' energy: -87.667
flat angles C4'-P-C4' energy: -107.109
flat angles P-C4'-P energy: -56.939
tors. eta vs tors. theta energy: -72.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -953.456919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.456919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.456919 (E_RNA)
where:
Base-Base interactions energy: -571.750
where: short stacking energy: -273.772
Base-Backbone interact. energy: -3.041
local terms energy: -378.666364
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -93.962
flat angles C4'-P-C4' energy: -95.482
flat angles P-C4'-P energy: -58.727
tors. eta vs tors. theta energy: -51.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -744.427862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.427862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.427862 (E_RNA)
where:
Base-Base interactions energy: -422.798
where: short stacking energy: -207.358
Base-Backbone interact. energy: 0.041
local terms energy: -321.670257
where:
bonds (distance) C4'-P energy: -80.342
bonds (distance) P-C4' energy: -77.024
flat angles C4'-P-C4' energy: -81.074
flat angles P-C4'-P energy: -52.857
tors. eta vs tors. theta energy: -30.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -623.966901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.966901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.966901 (E_RNA)
where:
Base-Base interactions energy: -312.600
where: short stacking energy: -177.134
Base-Backbone interact. energy: 0.311
local terms energy: -311.677730
where:
bonds (distance) C4'-P energy: -73.325
bonds (distance) P-C4' energy: -82.949
flat angles C4'-P-C4' energy: -81.732
flat angles P-C4'-P energy: -49.407
tors. eta vs tors. theta energy: -24.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1771.307723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.307723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.307723 (E_RNA)
where:
Base-Base interactions energy: -1202.166
where: short stacking energy: -510.781
Base-Backbone interact. energy: -2.523
local terms energy: -566.618947
where:
bonds (distance) C4'-P energy: -100.337
bonds (distance) P-C4' energy: -110.429
flat angles C4'-P-C4' energy: -115.956
flat angles P-C4'-P energy: -78.957
tors. eta vs tors. theta energy: -160.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1664.297583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.297583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.297583 (E_RNA)
where:
Base-Base interactions energy: -1138.868
where: short stacking energy: -470.054
Base-Backbone interact. energy: -2.530
local terms energy: -522.899161
where:
bonds (distance) C4'-P energy: -99.113
bonds (distance) P-C4' energy: -105.426
flat angles C4'-P-C4' energy: -112.121
flat angles P-C4'-P energy: -73.764
tors. eta vs tors. theta energy: -132.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1593.186810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.186810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.186810 (E_RNA)
where:
Base-Base interactions energy: -1074.427
where: short stacking energy: -462.414
Base-Backbone interact. energy: -1.126
local terms energy: -517.633551
where:
bonds (distance) C4'-P energy: -96.252
bonds (distance) P-C4' energy: -97.402
flat angles C4'-P-C4' energy: -111.768
flat angles P-C4'-P energy: -78.141
tors. eta vs tors. theta energy: -134.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1517.933438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.933438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.933438 (E_RNA)
where:
Base-Base interactions energy: -1034.823
where: short stacking energy: -435.641
Base-Backbone interact. energy: -0.174
local terms energy: -482.936527
where:
bonds (distance) C4'-P energy: -92.791
bonds (distance) P-C4' energy: -94.447
flat angles C4'-P-C4' energy: -109.671
flat angles P-C4'-P energy: -54.584
tors. eta vs tors. theta energy: -131.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1455.827630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.827630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.827630 (E_RNA)
where:
Base-Base interactions energy: -974.882
where: short stacking energy: -438.566
Base-Backbone interact. energy: 8.707
local terms energy: -489.652065
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -97.485
flat angles C4'-P-C4' energy: -102.099
flat angles P-C4'-P energy: -66.422
tors. eta vs tors. theta energy: -129.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1228.668080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.668080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.668080 (E_RNA)
where:
Base-Base interactions energy: -810.820
where: short stacking energy: -365.284
Base-Backbone interact. energy: -0.340
local terms energy: -417.507668
where:
bonds (distance) C4'-P energy: -78.856
bonds (distance) P-C4' energy: -88.305
flat angles C4'-P-C4' energy: -87.807
flat angles P-C4'-P energy: -63.725
tors. eta vs tors. theta energy: -98.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1068.067900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.067900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.067900 (E_RNA)
where:
Base-Base interactions energy: -660.112
where: short stacking energy: -325.052
Base-Backbone interact. energy: 1.075
local terms energy: -409.030786
where:
bonds (distance) C4'-P energy: -80.528
bonds (distance) P-C4' energy: -98.751
flat angles C4'-P-C4' energy: -97.469
flat angles P-C4'-P energy: -52.176
tors. eta vs tors. theta energy: -80.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -922.414809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.414809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.414809 (E_RNA)
where:
Base-Base interactions energy: -590.770
where: short stacking energy: -291.621
Base-Backbone interact. energy: 1.028
local terms energy: -332.673514
where:
bonds (distance) C4'-P energy: -63.872
bonds (distance) P-C4' energy: -86.133
flat angles C4'-P-C4' energy: -82.630
flat angles P-C4'-P energy: -36.670
tors. eta vs tors. theta energy: -63.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -794.615752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.615752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.615752 (E_RNA)
where:
Base-Base interactions energy: -449.576
where: short stacking energy: -219.263
Base-Backbone interact. energy: 0.025
local terms energy: -345.064354
where:
bonds (distance) C4'-P energy: -90.685
bonds (distance) P-C4' energy: -86.664
flat angles C4'-P-C4' energy: -88.745
flat angles P-C4'-P energy: -53.414
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -597.092610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.092610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.092610 (E_RNA)
where:
Base-Base interactions energy: -315.763
where: short stacking energy: -181.619
Base-Backbone interact. energy: 0.667
local terms energy: -281.996863
where:
bonds (distance) C4'-P energy: -66.883
bonds (distance) P-C4' energy: -79.124
flat angles C4'-P-C4' energy: -74.237
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1769.351261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.351261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.351261 (E_RNA)
where:
Base-Base interactions energy: -1211.777
where: short stacking energy: -522.544
Base-Backbone interact. energy: -0.959
local terms energy: -556.615745
where:
bonds (distance) C4'-P energy: -90.600
bonds (distance) P-C4' energy: -97.305
flat angles C4'-P-C4' energy: -121.788
flat angles P-C4'-P energy: -86.475
tors. eta vs tors. theta energy: -160.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1693.125643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.125643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.125643 (E_RNA)
where:
Base-Base interactions energy: -1161.622
where: short stacking energy: -464.074
Base-Backbone interact. energy: -3.215
local terms energy: -528.288298
where:
bonds (distance) C4'-P energy: -101.571
bonds (distance) P-C4' energy: -97.700
flat angles C4'-P-C4' energy: -115.347
flat angles P-C4'-P energy: -74.834
tors. eta vs tors. theta energy: -138.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1598.921988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.921988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.921988 (E_RNA)
where:
Base-Base interactions energy: -1089.463
where: short stacking energy: -477.622
Base-Backbone interact. energy: -4.364
local terms energy: -505.094633
where:
bonds (distance) C4'-P energy: -90.131
bonds (distance) P-C4' energy: -92.184
flat angles C4'-P-C4' energy: -117.709
flat angles P-C4'-P energy: -70.679
tors. eta vs tors. theta energy: -134.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1483.809460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.809460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.809460 (E_RNA)
where:
Base-Base interactions energy: -994.532
where: short stacking energy: -431.657
Base-Backbone interact. energy: -2.509
local terms energy: -486.768864
where:
bonds (distance) C4'-P energy: -96.704
bonds (distance) P-C4' energy: -99.386
flat angles C4'-P-C4' energy: -106.850
flat angles P-C4'-P energy: -56.193
tors. eta vs tors. theta energy: -127.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1458.082077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.082077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.082077 (E_RNA)
where:
Base-Base interactions energy: -988.722
where: short stacking energy: -418.316
Base-Backbone interact. energy: -1.677
local terms energy: -467.682302
where:
bonds (distance) C4'-P energy: -88.134
bonds (distance) P-C4' energy: -86.253
flat angles C4'-P-C4' energy: -111.490
flat angles P-C4'-P energy: -59.803
tors. eta vs tors. theta energy: -122.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1247.744085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.744085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.744085 (E_RNA)
where:
Base-Base interactions energy: -808.824
where: short stacking energy: -348.433
Base-Backbone interact. energy: -1.321
local terms energy: -437.599958
where:
bonds (distance) C4'-P energy: -84.862
bonds (distance) P-C4' energy: -101.893
flat angles C4'-P-C4' energy: -93.897
flat angles P-C4'-P energy: -64.013
tors. eta vs tors. theta energy: -92.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1079.689144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.689144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.689144 (E_RNA)
where:
Base-Base interactions energy: -677.003
where: short stacking energy: -302.816
Base-Backbone interact. energy: 2.687
local terms energy: -405.373634
where:
bonds (distance) C4'-P energy: -81.547
bonds (distance) P-C4' energy: -84.529
flat angles C4'-P-C4' energy: -100.557
flat angles P-C4'-P energy: -61.125
tors. eta vs tors. theta energy: -77.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -823.430397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.430397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.430397 (E_RNA)
where:
Base-Base interactions energy: -499.020
where: short stacking energy: -241.037
Base-Backbone interact. energy: 1.231
local terms energy: -325.641431
where:
bonds (distance) C4'-P energy: -73.059
bonds (distance) P-C4' energy: -86.022
flat angles C4'-P-C4' energy: -88.873
flat angles P-C4'-P energy: -41.561
tors. eta vs tors. theta energy: -36.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -923.877924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.877924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.877924 (E_RNA)
where:
Base-Base interactions energy: -559.080
where: short stacking energy: -273.204
Base-Backbone interact. energy: -0.562
local terms energy: -364.236498
where:
bonds (distance) C4'-P energy: -76.256
bonds (distance) P-C4' energy: -89.684
flat angles C4'-P-C4' energy: -87.291
flat angles P-C4'-P energy: -51.394
tors. eta vs tors. theta energy: -59.611
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: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -617.863155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.863155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.863155 (E_RNA)
where:
Base-Base interactions energy: -333.145
where: short stacking energy: -181.164
Base-Backbone interact. energy: -2.534
local terms energy: -282.184001
where:
bonds (distance) C4'-P energy: -80.040
bonds (distance) P-C4' energy: -87.614
flat angles C4'-P-C4' energy: -59.978
flat angles P-C4'-P energy: -44.406
tors. eta vs tors. theta energy: -10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1776.282087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.282087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.282087 (E_RNA)
where:
Base-Base interactions energy: -1239.967
where: short stacking energy: -526.744
Base-Backbone interact. energy: -1.159
local terms energy: -535.155858
where:
bonds (distance) C4'-P energy: -90.642
bonds (distance) P-C4' energy: -102.582
flat angles C4'-P-C4' energy: -113.425
flat angles P-C4'-P energy: -73.726
tors. eta vs tors. theta energy: -154.781
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: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1684.569739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.569739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.569739 (E_RNA)
where:
Base-Base interactions energy: -1137.946
where: short stacking energy: -470.851
Base-Backbone interact. energy: -0.696
local terms energy: -545.928057
where:
bonds (distance) C4'-P energy: -109.093
bonds (distance) P-C4' energy: -104.336
flat angles C4'-P-C4' energy: -112.518
flat angles P-C4'-P energy: -78.930
tors. eta vs tors. theta energy: -141.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1548.108363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.108363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.108363 (E_RNA)
where:
Base-Base interactions energy: -1029.376
where: short stacking energy: -457.455
Base-Backbone interact. energy: -1.614
local terms energy: -517.118529
where:
bonds (distance) C4'-P energy: -100.143
bonds (distance) P-C4' energy: -98.151
flat angles C4'-P-C4' energy: -103.289
flat angles P-C4'-P energy: -77.016
tors. eta vs tors. theta energy: -138.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1500.735923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.735923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.735923 (E_RNA)
where:
Base-Base interactions energy: -998.328
where: short stacking energy: -434.544
Base-Backbone interact. energy: -2.070
local terms energy: -500.337683
where:
bonds (distance) C4'-P energy: -94.225
bonds (distance) P-C4' energy: -103.372
flat angles C4'-P-C4' energy: -98.606
flat angles P-C4'-P energy: -73.494
tors. eta vs tors. theta energy: -130.641
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: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1490.072731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.072731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.072731 (E_RNA)
where:
Base-Base interactions energy: -1001.913
where: short stacking energy: -415.567
Base-Backbone interact. energy: -3.796
local terms energy: -484.364573
where:
bonds (distance) C4'-P energy: -97.242
bonds (distance) P-C4' energy: -99.681
flat angles C4'-P-C4' energy: -87.664
flat angles P-C4'-P energy: -64.871
tors. eta vs tors. theta energy: -134.907
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: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1271.989635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.989635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.989635 (E_RNA)
where:
Base-Base interactions energy: -833.621
where: short stacking energy: -364.064
Base-Backbone interact. energy: 0.137
local terms energy: -438.505869
where:
bonds (distance) C4'-P energy: -82.350
bonds (distance) P-C4' energy: -99.625
flat angles C4'-P-C4' energy: -106.765
flat angles P-C4'-P energy: -62.662
tors. eta vs tors. theta energy: -87.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1063.741760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.741760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.741760 (E_RNA)
where:
Base-Base interactions energy: -657.565
where: short stacking energy: -297.788
Base-Backbone interact. energy: -2.063
local terms energy: -404.114639
where:
bonds (distance) C4'-P energy: -85.041
bonds (distance) P-C4' energy: -105.857
flat angles C4'-P-C4' energy: -93.595
flat angles P-C4'-P energy: -54.043
tors. eta vs tors. theta energy: -65.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -856.205948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.205948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.205948 (E_RNA)
where:
Base-Base interactions energy: -517.701
where: short stacking energy: -220.592
Base-Backbone interact. energy: -2.509
local terms energy: -335.996618
where:
bonds (distance) C4'-P energy: -81.350
bonds (distance) P-C4' energy: -77.101
flat angles C4'-P-C4' energy: -84.302
flat angles P-C4'-P energy: -60.955
tors. eta vs tors. theta energy: -32.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -956.089964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.089964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.089964 (E_RNA)
where:
Base-Base interactions energy: -597.040
where: short stacking energy: -280.580
Base-Backbone interact. energy: 4.310
local terms energy: -363.360681
where:
bonds (distance) C4'-P energy: -82.240
bonds (distance) P-C4' energy: -99.993
flat angles C4'-P-C4' energy: -82.542
flat angles P-C4'-P energy: -41.415
tors. eta vs tors. theta energy: -57.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -595.409948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.409948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.409948 (E_RNA)
where:
Base-Base interactions energy: -307.660
where: short stacking energy: -163.833
Base-Backbone interact. energy: 7.063
local terms energy: -294.813144
where:
bonds (distance) C4'-P energy: -77.556
bonds (distance) P-C4' energy: -89.628
flat angles C4'-P-C4' energy: -78.549
flat angles P-C4'-P energy: -45.070
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1769.492769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.492769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.492769 (E_RNA)
where:
Base-Base interactions energy: -1198.345
where: short stacking energy: -525.981
Base-Backbone interact. energy: -0.298
local terms energy: -570.850333
where:
bonds (distance) C4'-P energy: -102.523
bonds (distance) P-C4' energy: -112.183
flat angles C4'-P-C4' energy: -119.472
flat angles P-C4'-P energy: -73.173
tors. eta vs tors. theta energy: -163.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1689.511759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.511759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.511759 (E_RNA)
where:
Base-Base interactions energy: -1160.845
where: short stacking energy: -489.160
Base-Backbone interact. energy: -1.440
local terms energy: -527.226605
where:
bonds (distance) C4'-P energy: -94.173
bonds (distance) P-C4' energy: -109.661
flat angles C4'-P-C4' energy: -118.045
flat angles P-C4'-P energy: -72.250
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: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1585.458587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.458587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.458587 (E_RNA)
where:
Base-Base interactions energy: -1067.838
where: short stacking energy: -467.953
Base-Backbone interact. energy: -0.899
local terms energy: -516.721134
where:
bonds (distance) C4'-P energy: -99.607
bonds (distance) P-C4' energy: -92.009
flat angles C4'-P-C4' energy: -114.060
flat angles P-C4'-P energy: -71.888
tors. eta vs tors. theta energy: -139.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1497.924119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.924119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.924119 (E_RNA)
where:
Base-Base interactions energy: -1007.875
where: short stacking energy: -433.617
Base-Backbone interact. energy: 2.005
local terms energy: -492.054642
where:
bonds (distance) C4'-P energy: -93.388
bonds (distance) P-C4' energy: -96.746
flat angles C4'-P-C4' energy: -106.492
flat angles P-C4'-P energy: -64.803
tors. eta vs tors. theta energy: -130.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1453.110303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.110303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.110303 (E_RNA)
where:
Base-Base interactions energy: -970.431
where: short stacking energy: -406.935
Base-Backbone interact. energy: -0.452
local terms energy: -482.227499
where:
bonds (distance) C4'-P energy: -92.582
bonds (distance) P-C4' energy: -98.863
flat angles C4'-P-C4' energy: -107.278
flat angles P-C4'-P energy: -64.323
tors. eta vs tors. theta energy: -119.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1251.442698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.442698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.442698 (E_RNA)
where:
Base-Base interactions energy: -815.231
where: short stacking energy: -373.190
Base-Backbone interact. energy: -1.627
local terms energy: -434.583762
where:
bonds (distance) C4'-P energy: -85.969
bonds (distance) P-C4' energy: -98.688
flat angles C4'-P-C4' energy: -98.596
flat angles P-C4'-P energy: -57.551
tors. eta vs tors. theta energy: -93.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1094.142741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.142741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.142741 (E_RNA)
where:
Base-Base interactions energy: -699.514
where: short stacking energy: -333.599
Base-Backbone interact. energy: -3.940
local terms energy: -390.688956
where:
bonds (distance) C4'-P energy: -80.957
bonds (distance) P-C4' energy: -86.075
flat angles C4'-P-C4' energy: -94.938
flat angles P-C4'-P energy: -51.945
tors. eta vs tors. theta energy: -76.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -933.471404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.471404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.471404 (E_RNA)
where:
Base-Base interactions energy: -564.237
where: short stacking energy: -258.564
Base-Backbone interact. energy: 3.604
local terms energy: -372.838182
where:
bonds (distance) C4'-P energy: -85.671
bonds (distance) P-C4' energy: -93.171
flat angles C4'-P-C4' energy: -104.771
flat angles P-C4'-P energy: -51.862
tors. eta vs tors. theta energy: -37.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -780.408016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.408016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.408016 (E_RNA)
where:
Base-Base interactions energy: -429.199
where: short stacking energy: -212.948
Base-Backbone interact. energy: 2.318
local terms energy: -353.526908
where:
bonds (distance) C4'-P energy: -80.772
bonds (distance) P-C4' energy: -90.875
flat angles C4'-P-C4' energy: -79.982
flat angles P-C4'-P energy: -64.406
tors. eta vs tors. theta energy: -37.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -542.496031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.496031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.496031 (E_RNA)
where:
Base-Base interactions energy: -266.775
where: short stacking energy: -134.840
Base-Backbone interact. energy: -0.648
local terms energy: -275.073288
where:
bonds (distance) C4'-P energy: -81.542
bonds (distance) P-C4' energy: -79.427
flat angles C4'-P-C4' energy: -73.046
flat angles P-C4'-P energy: -46.579
tors. eta vs tors. theta energy: 5.520
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: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1791.370554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.370554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.370554 (E_RNA)
where:
Base-Base interactions energy: -1225.864
where: short stacking energy: -537.790
Base-Backbone interact. energy: -2.126
local terms energy: -563.380668
where:
bonds (distance) C4'-P energy: -91.635
bonds (distance) P-C4' energy: -114.337
flat angles C4'-P-C4' energy: -117.350
flat angles P-C4'-P energy: -74.389
tors. eta vs tors. theta energy: -165.670
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: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1681.616416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.616416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.616416 (E_RNA)
where:
Base-Base interactions energy: -1156.301
where: short stacking energy: -497.864
Base-Backbone interact. energy: 0.189
local terms energy: -525.504509
where:
bonds (distance) C4'-P energy: -98.878
bonds (distance) P-C4' energy: -97.272
flat angles C4'-P-C4' energy: -110.453
flat angles P-C4'-P energy: -75.136
tors. eta vs tors. theta energy: -143.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1586.231804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.231804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.231804 (E_RNA)
where:
Base-Base interactions energy: -1063.693
where: short stacking energy: -461.818
Base-Backbone interact. energy: 2.071
local terms energy: -524.610039
where:
bonds (distance) C4'-P energy: -96.104
bonds (distance) P-C4' energy: -109.200
flat angles C4'-P-C4' energy: -104.701
flat angles P-C4'-P energy: -73.298
tors. eta vs tors. theta energy: -141.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1492.549564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.549564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.549564 (E_RNA)
where:
Base-Base interactions energy: -1004.572
where: short stacking energy: -463.656
Base-Backbone interact. energy: -0.966
local terms energy: -487.011475
where:
bonds (distance) C4'-P energy: -86.430
bonds (distance) P-C4' energy: -90.908
flat angles C4'-P-C4' energy: -112.217
flat angles P-C4'-P energy: -59.100
tors. eta vs tors. theta energy: -138.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1476.688376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.688376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.688376 (E_RNA)
where:
Base-Base interactions energy: -981.964
where: short stacking energy: -447.214
Base-Backbone interact. energy: 3.842
local terms energy: -498.565983
where:
bonds (distance) C4'-P energy: -99.089
bonds (distance) P-C4' energy: -92.851
flat angles C4'-P-C4' energy: -112.546
flat angles P-C4'-P energy: -61.840
tors. eta vs tors. theta energy: -132.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1298.146991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.146991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.146991 (E_RNA)
where:
Base-Base interactions energy: -851.246
where: short stacking energy: -382.388
Base-Backbone interact. energy: -0.045
local terms energy: -446.856547
where:
bonds (distance) C4'-P energy: -98.629
bonds (distance) P-C4' energy: -76.482
flat angles C4'-P-C4' energy: -105.420
flat angles P-C4'-P energy: -66.395
tors. eta vs tors. theta energy: -99.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1051.043044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.043044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.043044 (E_RNA)
where:
Base-Base interactions energy: -667.436
where: short stacking energy: -311.474
Base-Backbone interact. energy: -0.667
local terms energy: -382.940170
where:
bonds (distance) C4'-P energy: -71.339
bonds (distance) P-C4' energy: -94.776
flat angles C4'-P-C4' energy: -109.405
flat angles P-C4'-P energy: -51.611
tors. eta vs tors. theta energy: -55.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -951.707063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.707063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.707063 (E_RNA)
where:
Base-Base interactions energy: -605.171
where: short stacking energy: -276.231
Base-Backbone interact. energy: -0.524
local terms energy: -346.012491
where:
bonds (distance) C4'-P energy: -79.883
bonds (distance) P-C4' energy: -82.434
flat angles C4'-P-C4' energy: -79.527
flat angles P-C4'-P energy: -62.038
tors. eta vs tors. theta energy: -42.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -718.685465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.685465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.685465 (E_RNA)
where:
Base-Base interactions energy: -390.819
where: short stacking energy: -187.097
Base-Backbone interact. energy: 1.088
local terms energy: -328.953960
where:
bonds (distance) C4'-P energy: -102.203
bonds (distance) P-C4' energy: -85.376
flat angles C4'-P-C4' energy: -78.800
flat angles P-C4'-P energy: -46.852
tors. eta vs tors. theta energy: -15.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -609.070785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.070785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.070785 (E_RNA)
where:
Base-Base interactions energy: -326.081
where: short stacking energy: -169.083
Base-Backbone interact. energy: 0.042
local terms energy: -283.031746
where:
bonds (distance) C4'-P energy: -88.732
bonds (distance) P-C4' energy: -84.971
flat angles C4'-P-C4' energy: -77.915
flat angles P-C4'-P energy: -32.203
tors. eta vs tors. theta energy: 0.790
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: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1798.213833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.213833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.213833 (E_RNA)
where:
Base-Base interactions energy: -1227.560
where: short stacking energy: -537.434
Base-Backbone interact. energy: -0.907
local terms energy: -569.745905
where:
bonds (distance) C4'-P energy: -104.896
bonds (distance) P-C4' energy: -107.525
flat angles C4'-P-C4' energy: -121.320
flat angles P-C4'-P energy: -70.447
tors. eta vs tors. theta energy: -165.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1684.995844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.995844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.995844 (E_RNA)
where:
Base-Base interactions energy: -1160.002
where: short stacking energy: -494.610
Base-Backbone interact. energy: -1.160
local terms energy: -523.834085
where:
bonds (distance) C4'-P energy: -101.290
bonds (distance) P-C4' energy: -97.900
flat angles C4'-P-C4' energy: -111.846
flat angles P-C4'-P energy: -80.592
tors. eta vs tors. theta energy: -132.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1592.726030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.726030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.726030 (E_RNA)
where:
Base-Base interactions energy: -1059.445
where: short stacking energy: -477.906
Base-Backbone interact. energy: -2.272
local terms energy: -531.009004
where:
bonds (distance) C4'-P energy: -99.260
bonds (distance) P-C4' energy: -104.490
flat angles C4'-P-C4' energy: -110.420
flat angles P-C4'-P energy: -74.062
tors. eta vs tors. theta energy: -142.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1493.704349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.704349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.704349 (E_RNA)
where:
Base-Base interactions energy: -1015.475
where: short stacking energy: -451.375
Base-Backbone interact. energy: 0.188
local terms energy: -478.417118
where:
bonds (distance) C4'-P energy: -89.483
bonds (distance) P-C4' energy: -83.740
flat angles C4'-P-C4' energy: -113.721
flat angles P-C4'-P energy: -63.631
tors. eta vs tors. theta energy: -127.842
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: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1445.266247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.266247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.266247 (E_RNA)
where:
Base-Base interactions energy: -990.433
where: short stacking energy: -435.924
Base-Backbone interact. energy: -1.608
local terms energy: -453.224290
where:
bonds (distance) C4'-P energy: -91.990
bonds (distance) P-C4' energy: -89.477
flat angles C4'-P-C4' energy: -102.493
flat angles P-C4'-P energy: -48.843
tors. eta vs tors. theta energy: -120.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1272.857117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.857117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.857117 (E_RNA)
where:
Base-Base interactions energy: -849.648
where: short stacking energy: -365.777
Base-Backbone interact. energy: 0.379
local terms energy: -423.587425
where:
bonds (distance) C4'-P energy: -97.554
bonds (distance) P-C4' energy: -90.104
flat angles C4'-P-C4' energy: -93.605
flat angles P-C4'-P energy: -48.979
tors. eta vs tors. theta energy: -93.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1079.787288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.787288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.787288 (E_RNA)
where:
Base-Base interactions energy: -687.361
where: short stacking energy: -309.726
Base-Backbone interact. energy: -0.489
local terms energy: -391.936707
where:
bonds (distance) C4'-P energy: -84.654
bonds (distance) P-C4' energy: -93.842
flat angles C4'-P-C4' energy: -87.908
flat angles P-C4'-P energy: -74.360
tors. eta vs tors. theta energy: -51.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -973.403841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.403841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.403841 (E_RNA)
where:
Base-Base interactions energy: -553.996
where: short stacking energy: -281.595
Base-Backbone interact. energy: -0.860
local terms energy: -418.547499
where:
bonds (distance) C4'-P energy: -94.454
bonds (distance) P-C4' energy: -102.188
flat angles C4'-P-C4' energy: -107.624
flat angles P-C4'-P energy: -63.013
tors. eta vs tors. theta energy: -51.269
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: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -754.009946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.009946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.009946 (E_RNA)
where:
Base-Base interactions energy: -437.032
where: short stacking energy: -211.434
Base-Backbone interact. energy: -0.273
local terms energy: -316.704912
where:
bonds (distance) C4'-P energy: -73.370
bonds (distance) P-C4' energy: -89.652
flat angles C4'-P-C4' energy: -87.264
flat angles P-C4'-P energy: -53.990
tors. eta vs tors. theta energy: -12.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -616.573570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.573570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.573570 (E_RNA)
where:
Base-Base interactions energy: -325.916
where: short stacking energy: -168.056
Base-Backbone interact. energy: -1.839
local terms energy: -288.818261
where:
bonds (distance) C4'-P energy: -70.598
bonds (distance) P-C4' energy: -84.756
flat angles C4'-P-C4' energy: -83.133
flat angles P-C4'-P energy: -44.180
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1779.091863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.091863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.091863 (E_RNA)
where:
Base-Base interactions energy: -1222.149
where: short stacking energy: -523.256
Base-Backbone interact. energy: -1.720
local terms energy: -555.222733
where:
bonds (distance) C4'-P energy: -107.369
bonds (distance) P-C4' energy: -101.890
flat angles C4'-P-C4' energy: -118.270
flat angles P-C4'-P energy: -64.826
tors. eta vs tors. theta energy: -162.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1688.337840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.337840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.337840 (E_RNA)
where:
Base-Base interactions energy: -1130.647
where: short stacking energy: -481.588
Base-Backbone interact. energy: -1.139
local terms energy: -556.551851
where:
bonds (distance) C4'-P energy: -105.329
bonds (distance) P-C4' energy: -115.049
flat angles C4'-P-C4' energy: -121.586
flat angles P-C4'-P energy: -71.525
tors. eta vs tors. theta energy: -143.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1563.162947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.162947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.162947 (E_RNA)
where:
Base-Base interactions energy: -1049.252
where: short stacking energy: -466.401
Base-Backbone interact. energy: -1.307
local terms energy: -512.604003
where:
bonds (distance) C4'-P energy: -106.603
bonds (distance) P-C4' energy: -102.198
flat angles C4'-P-C4' energy: -109.008
flat angles P-C4'-P energy: -65.609
tors. eta vs tors. theta energy: -129.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1500.732398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.732398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.732398 (E_RNA)
where:
Base-Base interactions energy: -1017.554
where: short stacking energy: -451.870
Base-Backbone interact. energy: -0.834
local terms energy: -482.345307
where:
bonds (distance) C4'-P energy: -97.311
bonds (distance) P-C4' energy: -90.178
flat angles C4'-P-C4' energy: -99.781
flat angles P-C4'-P energy: -59.365
tors. eta vs tors. theta energy: -135.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1410.384422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.384422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.384422 (E_RNA)
where:
Base-Base interactions energy: -950.551
where: short stacking energy: -394.436
Base-Backbone interact. energy: -2.327
local terms energy: -457.506495
where:
bonds (distance) C4'-P energy: -82.589
bonds (distance) P-C4' energy: -85.647
flat angles C4'-P-C4' energy: -98.022
flat angles P-C4'-P energy: -65.597
tors. eta vs tors. theta energy: -125.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1246.669921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.669921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.669921 (E_RNA)
where:
Base-Base interactions energy: -852.835
where: short stacking energy: -353.729
Base-Backbone interact. energy: 1.577
local terms energy: -395.412298
where:
bonds (distance) C4'-P energy: -87.417
bonds (distance) P-C4' energy: -94.314
flat angles C4'-P-C4' energy: -89.562
flat angles P-C4'-P energy: -52.297
tors. eta vs tors. theta energy: -71.823
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: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1007.868887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.868887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.868887 (E_RNA)
where:
Base-Base interactions energy: -663.657
where: short stacking energy: -308.352
Base-Backbone interact. energy: 5.063
local terms energy: -349.275041
where:
bonds (distance) C4'-P energy: -78.237
bonds (distance) P-C4' energy: -80.488
flat angles C4'-P-C4' energy: -85.417
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -68.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -962.529284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.529284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.529284 (E_RNA)
where:
Base-Base interactions energy: -617.975
where: short stacking energy: -279.000
Base-Backbone interact. energy: -0.186
local terms energy: -344.368141
where:
bonds (distance) C4'-P energy: -84.044
bonds (distance) P-C4' energy: -80.700
flat angles C4'-P-C4' energy: -64.771
flat angles P-C4'-P energy: -60.811
tors. eta vs tors. theta energy: -54.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -754.212452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.212452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.212452 (E_RNA)
where:
Base-Base interactions energy: -436.771
where: short stacking energy: -195.183
Base-Backbone interact. energy: 4.620
local terms energy: -322.061505
where:
bonds (distance) C4'-P energy: -89.844
bonds (distance) P-C4' energy: -87.451
flat angles C4'-P-C4' energy: -79.649
flat angles P-C4'-P energy: -54.209
tors. eta vs tors. theta energy: -10.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -599.903438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.903438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.903438 (E_RNA)
where:
Base-Base interactions energy: -304.083
where: short stacking energy: -160.470
Base-Backbone interact. energy: 1.588
local terms energy: -297.409090
where:
bonds (distance) C4'-P energy: -90.400
bonds (distance) P-C4' energy: -91.359
flat angles C4'-P-C4' energy: -67.108
flat angles P-C4'-P energy: -42.625
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1782.278209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.278209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.278209 (E_RNA)
where:
Base-Base interactions energy: -1221.857
where: short stacking energy: -519.310
Base-Backbone interact. energy: -1.090
local terms energy: -559.330641
where:
bonds (distance) C4'-P energy: -103.498
bonds (distance) P-C4' energy: -107.685
flat angles C4'-P-C4' energy: -117.752
flat angles P-C4'-P energy: -71.255
tors. eta vs tors. theta energy: -159.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1666.994330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.994330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.994330 (E_RNA)
where:
Base-Base interactions energy: -1147.341
where: short stacking energy: -495.129
Base-Backbone interact. energy: -1.852
local terms energy: -517.801013
where:
bonds (distance) C4'-P energy: -91.379
bonds (distance) P-C4' energy: -100.085
flat angles C4'-P-C4' energy: -107.987
flat angles P-C4'-P energy: -77.991
tors. eta vs tors. theta energy: -140.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1562.098424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.098424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.098424 (E_RNA)
where:
Base-Base interactions energy: -1055.798
where: short stacking energy: -474.813
Base-Backbone interact. energy: -0.235
local terms energy: -506.065465
where:
bonds (distance) C4'-P energy: -95.044
bonds (distance) P-C4' energy: -92.610
flat angles C4'-P-C4' energy: -111.649
flat angles P-C4'-P energy: -71.693
tors. eta vs tors. theta energy: -135.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1498.819530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.819530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.819530 (E_RNA)
where:
Base-Base interactions energy: -999.243
where: short stacking energy: -422.788
Base-Backbone interact. energy: -2.476
local terms energy: -497.101411
where:
bonds (distance) C4'-P energy: -93.749
bonds (distance) P-C4' energy: -93.106
flat angles C4'-P-C4' energy: -118.850
flat angles P-C4'-P energy: -70.864
tors. eta vs tors. theta energy: -120.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1368.640994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.640994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.640994 (E_RNA)
where:
Base-Base interactions energy: -925.696
where: short stacking energy: -416.454
Base-Backbone interact. energy: -1.027
local terms energy: -441.917468
where:
bonds (distance) C4'-P energy: -86.279
bonds (distance) P-C4' energy: -98.452
flat angles C4'-P-C4' energy: -97.373
flat angles P-C4'-P energy: -43.732
tors. eta vs tors. theta energy: -116.082
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: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1199.491486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.491486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.491486 (E_RNA)
where:
Base-Base interactions energy: -800.400
where: short stacking energy: -354.392
Base-Backbone interact. energy: -1.405
local terms energy: -397.686704
where:
bonds (distance) C4'-P energy: -81.038
bonds (distance) P-C4' energy: -84.689
flat angles C4'-P-C4' energy: -98.844
flat angles P-C4'-P energy: -55.243
tors. eta vs tors. theta energy: -77.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1060.968890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.968890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.968890 (E_RNA)
where:
Base-Base interactions energy: -654.378
where: short stacking energy: -315.996
Base-Backbone interact. energy: -1.171
local terms energy: -405.419565
where:
bonds (distance) C4'-P energy: -84.791
bonds (distance) P-C4' energy: -93.117
flat angles C4'-P-C4' energy: -96.819
flat angles P-C4'-P energy: -59.529
tors. eta vs tors. theta energy: -71.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1001.364060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.364060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.364060 (E_RNA)
where:
Base-Base interactions energy: -611.203
where: short stacking energy: -277.731
Base-Backbone interact. energy: -1.371
local terms energy: -388.789554
where:
bonds (distance) C4'-P energy: -100.273
bonds (distance) P-C4' energy: -97.823
flat angles C4'-P-C4' energy: -85.183
flat angles P-C4'-P energy: -48.745
tors. eta vs tors. theta energy: -56.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -791.079155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.079155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.079155 (E_RNA)
where:
Base-Base interactions energy: -476.653
where: short stacking energy: -232.048
Base-Backbone interact. energy: -1.666
local terms energy: -312.760857
where:
bonds (distance) C4'-P energy: -95.725
bonds (distance) P-C4' energy: -83.777
flat angles C4'-P-C4' energy: -82.792
flat angles P-C4'-P energy: -25.770
tors. eta vs tors. theta energy: -24.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -666.148777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.148777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.148777 (E_RNA)
where:
Base-Base interactions energy: -382.017
where: short stacking energy: -212.616
Base-Backbone interact. energy: 1.053
local terms energy: -285.184328
where:
bonds (distance) C4'-P energy: -75.104
bonds (distance) P-C4' energy: -72.040
flat angles C4'-P-C4' energy: -84.341
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1809.243171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.243171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.243171 (E_RNA)
where:
Base-Base interactions energy: -1234.418
where: short stacking energy: -550.110
Base-Backbone interact. energy: 1.869
local terms energy: -576.694656
where:
bonds (distance) C4'-P energy: -107.534
bonds (distance) P-C4' energy: -102.882
flat angles C4'-P-C4' energy: -117.136
flat angles P-C4'-P energy: -81.724
tors. eta vs tors. theta energy: -167.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1661.413540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.413540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.413540 (E_RNA)
where:
Base-Base interactions energy: -1148.287
where: short stacking energy: -479.806
Base-Backbone interact. energy: -2.373
local terms energy: -510.752966
where:
bonds (distance) C4'-P energy: -99.840
bonds (distance) P-C4' energy: -96.712
flat angles C4'-P-C4' energy: -104.496
flat angles P-C4'-P energy: -62.542
tors. eta vs tors. theta energy: -147.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1570.109656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.109656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.109656 (E_RNA)
where:
Base-Base interactions energy: -1067.933
where: short stacking energy: -474.976
Base-Backbone interact. energy: -2.784
local terms energy: -499.393109
where:
bonds (distance) C4'-P energy: -108.578
bonds (distance) P-C4' energy: -79.063
flat angles C4'-P-C4' energy: -102.069
flat angles P-C4'-P energy: -81.154
tors. eta vs tors. theta energy: -128.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1468.410181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.410181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.410181 (E_RNA)
where:
Base-Base interactions energy: -957.966
where: short stacking energy: -396.190
Base-Backbone interact. energy: -0.778
local terms energy: -509.666248
where:
bonds (distance) C4'-P energy: -91.671
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -117.015
flat angles P-C4'-P energy: -73.081
tors. eta vs tors. theta energy: -123.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1410.468409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.468409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.468409 (E_RNA)
where:
Base-Base interactions energy: -942.834
where: short stacking energy: -431.047
Base-Backbone interact. energy: -2.639
local terms energy: -464.995359
where:
bonds (distance) C4'-P energy: -98.672
bonds (distance) P-C4' energy: -85.337
flat angles C4'-P-C4' energy: -97.561
flat angles P-C4'-P energy: -68.041
tors. eta vs tors. theta energy: -115.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1197.953948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.953948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.953948 (E_RNA)
where:
Base-Base interactions energy: -810.512
where: short stacking energy: -338.782
Base-Backbone interact. energy: -2.086
local terms energy: -385.354969
where:
bonds (distance) C4'-P energy: -72.700
bonds (distance) P-C4' energy: -101.862
flat angles C4'-P-C4' energy: -80.746
flat angles P-C4'-P energy: -50.418
tors. eta vs tors. theta energy: -79.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1035.838174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.838174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.838174 (E_RNA)
where:
Base-Base interactions energy: -653.940
where: short stacking energy: -306.484
Base-Backbone interact. energy: -1.035
local terms energy: -380.863443
where:
bonds (distance) C4'-P energy: -93.712
bonds (distance) P-C4' energy: -87.834
flat angles C4'-P-C4' energy: -90.143
flat angles P-C4'-P energy: -51.172
tors. eta vs tors. theta energy: -58.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -956.270337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.270337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.270337 (E_RNA)
where:
Base-Base interactions energy: -604.542
where: short stacking energy: -289.234
Base-Backbone interact. energy: -4.723
local terms energy: -347.005960
where:
bonds (distance) C4'-P energy: -85.527
bonds (distance) P-C4' energy: -75.890
flat angles C4'-P-C4' energy: -77.845
flat angles P-C4'-P energy: -50.918
tors. eta vs tors. theta energy: -56.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -739.691759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.691759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.691759 (E_RNA)
where:
Base-Base interactions energy: -414.423
where: short stacking energy: -202.289
Base-Backbone interact. energy: 3.171
local terms energy: -328.439720
where:
bonds (distance) C4'-P energy: -95.925
bonds (distance) P-C4' energy: -97.649
flat angles C4'-P-C4' energy: -67.883
flat angles P-C4'-P energy: -36.987
tors. eta vs tors. theta energy: -29.996
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: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -693.120775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.120775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.120775 (E_RNA)
where:
Base-Base interactions energy: -399.433
where: short stacking energy: -192.974
Base-Backbone interact. energy: -1.798
local terms energy: -291.889581
where:
bonds (distance) C4'-P energy: -84.961
bonds (distance) P-C4' energy: -95.699
flat angles C4'-P-C4' energy: -70.650
flat angles P-C4'-P energy: -29.090
tors. eta vs tors. theta energy: -11.491
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1807.237155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.237155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.237155 (E_RNA)
where:
Base-Base interactions energy: -1228.301
where: short stacking energy: -541.761
Base-Backbone interact. energy: -1.750
local terms energy: -577.186710
where:
bonds (distance) C4'-P energy: -104.119
bonds (distance) P-C4' energy: -106.320
flat angles C4'-P-C4' energy: -121.937
flat angles P-C4'-P energy: -84.396
tors. eta vs tors. theta energy: -160.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1687.885991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.885991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.885991 (E_RNA)
where:
Base-Base interactions energy: -1163.345
where: short stacking energy: -493.229
Base-Backbone interact. energy: -0.430
local terms energy: -524.110504
where:
bonds (distance) C4'-P energy: -97.192
bonds (distance) P-C4' energy: -97.294
flat angles C4'-P-C4' energy: -102.640
flat angles P-C4'-P energy: -78.249
tors. eta vs tors. theta energy: -148.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1564.332882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.332882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.332882 (E_RNA)
where:
Base-Base interactions energy: -1080.202
where: short stacking energy: -448.805
Base-Backbone interact. energy: -1.970
local terms energy: -482.161461
where:
bonds (distance) C4'-P energy: -78.909
bonds (distance) P-C4' energy: -100.672
flat angles C4'-P-C4' energy: -104.259
flat angles P-C4'-P energy: -67.857
tors. eta vs tors. theta energy: -130.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1477.757762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.757762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.757762 (E_RNA)
where:
Base-Base interactions energy: -1002.598
where: short stacking energy: -416.210
Base-Backbone interact. energy: -0.732
local terms energy: -474.428107
where:
bonds (distance) C4'-P energy: -77.007
bonds (distance) P-C4' energy: -92.915
flat angles C4'-P-C4' energy: -116.493
flat angles P-C4'-P energy: -66.015
tors. eta vs tors. theta energy: -121.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1422.064283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.064283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.064283 (E_RNA)
where:
Base-Base interactions energy: -947.212
where: short stacking energy: -405.267
Base-Backbone interact. energy: -2.778
local terms energy: -472.073945
where:
bonds (distance) C4'-P energy: -92.389
bonds (distance) P-C4' energy: -91.783
flat angles C4'-P-C4' energy: -95.486
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -123.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1218.015379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.015379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.015379 (E_RNA)
where:
Base-Base interactions energy: -790.756
where: short stacking energy: -347.140
Base-Backbone interact. energy: -2.966
local terms energy: -424.293600
where:
bonds (distance) C4'-P energy: -80.242
bonds (distance) P-C4' energy: -98.904
flat angles C4'-P-C4' energy: -106.879
flat angles P-C4'-P energy: -45.148
tors. eta vs tors. theta energy: -93.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1019.848217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.848217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.848217 (E_RNA)
where:
Base-Base interactions energy: -634.503
where: short stacking energy: -302.564
Base-Backbone interact. energy: -1.766
local terms energy: -383.578736
where:
bonds (distance) C4'-P energy: -82.878
bonds (distance) P-C4' energy: -86.798
flat angles C4'-P-C4' energy: -90.571
flat angles P-C4'-P energy: -60.139
tors. eta vs tors. theta energy: -63.193
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: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1019.479112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.479112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.479112 (E_RNA)
where:
Base-Base interactions energy: -648.261
where: short stacking energy: -304.643
Base-Backbone interact. energy: -1.610
local terms energy: -369.607597
where:
bonds (distance) C4'-P energy: -82.900
bonds (distance) P-C4' energy: -81.638
flat angles C4'-P-C4' energy: -81.429
flat angles P-C4'-P energy: -65.558
tors. eta vs tors. theta energy: -58.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -721.258055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.258055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.258055 (E_RNA)
where:
Base-Base interactions energy: -419.340
where: short stacking energy: -173.931
Base-Backbone interact. energy: 3.369
local terms energy: -305.286315
where:
bonds (distance) C4'-P energy: -89.121
bonds (distance) P-C4' energy: -91.175
flat angles C4'-P-C4' energy: -71.810
flat angles P-C4'-P energy: -49.284
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -600.157745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.157745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.157745 (E_RNA)
where:
Base-Base interactions energy: -317.631
where: short stacking energy: -162.764
Base-Backbone interact. energy: 0.365
local terms energy: -282.891216
where:
bonds (distance) C4'-P energy: -78.332
bonds (distance) P-C4' energy: -94.291
flat angles C4'-P-C4' energy: -54.260
flat angles P-C4'-P energy: -50.648
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1791.262692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.262692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.262692 (E_RNA)
where:
Base-Base interactions energy: -1234.620
where: short stacking energy: -530.606
Base-Backbone interact. energy: -2.376
local terms energy: -554.266198
where:
bonds (distance) C4'-P energy: -93.954
bonds (distance) P-C4' energy: -95.917
flat angles C4'-P-C4' energy: -125.638
flat angles P-C4'-P energy: -77.853
tors. eta vs tors. theta energy: -160.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1672.087796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.087796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.087796 (E_RNA)
where:
Base-Base interactions energy: -1141.317
where: short stacking energy: -482.810
Base-Backbone interact. energy: -2.394
local terms energy: -528.375899
where:
bonds (distance) C4'-P energy: -88.319
bonds (distance) P-C4' energy: -100.356
flat angles C4'-P-C4' energy: -121.148
flat angles P-C4'-P energy: -80.718
tors. eta vs tors. theta energy: -137.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1600.202154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.202154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.202154 (E_RNA)
where:
Base-Base interactions energy: -1068.845
where: short stacking energy: -447.717
Base-Backbone interact. energy: -3.375
local terms energy: -527.982800
where:
bonds (distance) C4'-P energy: -110.297
bonds (distance) P-C4' energy: -101.576
flat angles C4'-P-C4' energy: -102.681
flat angles P-C4'-P energy: -72.605
tors. eta vs tors. theta energy: -140.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1526.242261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.242261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.242261 (E_RNA)
where:
Base-Base interactions energy: -1031.778
where: short stacking energy: -457.757
Base-Backbone interact. energy: -1.554
local terms energy: -492.910327
where:
bonds (distance) C4'-P energy: -96.881
bonds (distance) P-C4' energy: -87.071
flat angles C4'-P-C4' energy: -106.124
flat angles P-C4'-P energy: -67.653
tors. eta vs tors. theta energy: -135.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1364.996016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.996016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.996016 (E_RNA)
where:
Base-Base interactions energy: -921.925
where: short stacking energy: -391.324
Base-Backbone interact. energy: 0.896
local terms energy: -443.967973
where:
bonds (distance) C4'-P energy: -90.658
bonds (distance) P-C4' energy: -86.904
flat angles C4'-P-C4' energy: -98.516
flat angles P-C4'-P energy: -64.656
tors. eta vs tors. theta energy: -103.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1235.902897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.902897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.902897 (E_RNA)
where:
Base-Base interactions energy: -778.262
where: short stacking energy: -336.207
Base-Backbone interact. energy: 0.336
local terms energy: -457.976382
where:
bonds (distance) C4'-P energy: -93.497
bonds (distance) P-C4' energy: -107.797
flat angles C4'-P-C4' energy: -105.765
flat angles P-C4'-P energy: -63.747
tors. eta vs tors. theta energy: -87.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1028.755385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.755385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.755385 (E_RNA)
where:
Base-Base interactions energy: -651.908
where: short stacking energy: -305.242
Base-Backbone interact. energy: 1.394
local terms energy: -378.241930
where:
bonds (distance) C4'-P energy: -77.728
bonds (distance) P-C4' energy: -88.849
flat angles C4'-P-C4' energy: -92.384
flat angles P-C4'-P energy: -59.512
tors. eta vs tors. theta energy: -59.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -980.450466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.450466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.450466 (E_RNA)
where:
Base-Base interactions energy: -603.446
where: short stacking energy: -263.003
Base-Backbone interact. energy: 0.413
local terms energy: -377.417319
where:
bonds (distance) C4'-P energy: -90.414
bonds (distance) P-C4' energy: -84.390
flat angles C4'-P-C4' energy: -82.683
flat angles P-C4'-P energy: -71.014
tors. eta vs tors. theta energy: -48.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -640.685646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.685646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.685646 (E_RNA)
where:
Base-Base interactions energy: -354.175
where: short stacking energy: -173.835
Base-Backbone interact. energy: 2.337
local terms energy: -288.846902
where:
bonds (distance) C4'-P energy: -73.050
bonds (distance) P-C4' energy: -90.941
flat angles C4'-P-C4' energy: -70.597
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -720.568660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.568660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.568660 (E_RNA)
where:
Base-Base interactions energy: -402.498
where: short stacking energy: -212.904
Base-Backbone interact. energy: -0.546
local terms energy: -317.524866
where:
bonds (distance) C4'-P energy: -93.128
bonds (distance) P-C4' energy: -80.920
flat angles C4'-P-C4' energy: -77.716
flat angles P-C4'-P energy: -49.571
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1800.113521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.113521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.113521 (E_RNA)
where:
Base-Base interactions energy: -1222.457
where: short stacking energy: -542.038
Base-Backbone interact. energy: -3.846
local terms energy: -573.810733
where:
bonds (distance) C4'-P energy: -108.613
bonds (distance) P-C4' energy: -98.237
flat angles C4'-P-C4' energy: -121.112
flat angles P-C4'-P energy: -81.517
tors. eta vs tors. theta energy: -164.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1642.611231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.611231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.611231 (E_RNA)
where:
Base-Base interactions energy: -1132.414
where: short stacking energy: -472.494
Base-Backbone interact. energy: 4.141
local terms energy: -514.338953
where:
bonds (distance) C4'-P energy: -87.624
bonds (distance) P-C4' energy: -102.022
flat angles C4'-P-C4' energy: -106.875
flat angles P-C4'-P energy: -72.932
tors. eta vs tors. theta energy: -144.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1585.358810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.358810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.358810 (E_RNA)
where:
Base-Base interactions energy: -1078.912
where: short stacking energy: -484.524
Base-Backbone interact. energy: 2.762
local terms energy: -509.209596
where:
bonds (distance) C4'-P energy: -83.597
bonds (distance) P-C4' energy: -114.877
flat angles C4'-P-C4' energy: -115.776
flat angles P-C4'-P energy: -56.542
tors. eta vs tors. theta energy: -138.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1511.781055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.781055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.781055 (E_RNA)
where:
Base-Base interactions energy: -1026.558
where: short stacking energy: -449.238
Base-Backbone interact. energy: 3.154
local terms energy: -488.376723
where:
bonds (distance) C4'-P energy: -91.398
bonds (distance) P-C4' energy: -91.952
flat angles C4'-P-C4' energy: -106.541
flat angles P-C4'-P energy: -63.670
tors. eta vs tors. theta energy: -134.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1390.525723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.525723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.525723 (E_RNA)
where:
Base-Base interactions energy: -911.091
where: short stacking energy: -397.265
Base-Backbone interact. energy: -2.911
local terms energy: -476.523110
where:
bonds (distance) C4'-P energy: -97.456
bonds (distance) P-C4' energy: -95.188
flat angles C4'-P-C4' energy: -103.942
flat angles P-C4'-P energy: -60.042
tors. eta vs tors. theta energy: -119.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1308.709960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.709960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.709960 (E_RNA)
where:
Base-Base interactions energy: -849.906
where: short stacking energy: -374.408
Base-Backbone interact. energy: -1.447
local terms energy: -457.356790
where:
bonds (distance) C4'-P energy: -86.656
bonds (distance) P-C4' energy: -100.193
flat angles C4'-P-C4' energy: -110.377
flat angles P-C4'-P energy: -54.624
tors. eta vs tors. theta energy: -105.507
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: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1055.748277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.748277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.748277 (E_RNA)
where:
Base-Base interactions energy: -655.348
where: short stacking energy: -333.113
Base-Backbone interact. energy: 0.394
local terms energy: -400.794893
where:
bonds (distance) C4'-P energy: -75.881
bonds (distance) P-C4' energy: -97.050
flat angles C4'-P-C4' energy: -86.652
flat angles P-C4'-P energy: -53.093
tors. eta vs tors. theta energy: -88.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -990.170751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.170751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.170751 (E_RNA)
where:
Base-Base interactions energy: -607.694
where: short stacking energy: -301.101
Base-Backbone interact. energy: 1.050
local terms energy: -383.526126
where:
bonds (distance) C4'-P energy: -81.485
bonds (distance) P-C4' energy: -77.883
flat angles C4'-P-C4' energy: -93.094
flat angles P-C4'-P energy: -51.859
tors. eta vs tors. theta energy: -79.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -656.555527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.555527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.555527 (E_RNA)
where:
Base-Base interactions energy: -361.552
where: short stacking energy: -197.443
Base-Backbone interact. energy: -0.385
local terms energy: -294.618157
where:
bonds (distance) C4'-P energy: -80.377
bonds (distance) P-C4' energy: -79.615
flat angles C4'-P-C4' energy: -69.733
flat angles P-C4'-P energy: -54.677
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -673.621709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.621709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.621709 (E_RNA)
where:
Base-Base interactions energy: -352.366
where: short stacking energy: -186.383
Base-Backbone interact. energy: -0.688
local terms energy: -320.567821
where:
bonds (distance) C4'-P energy: -91.728
bonds (distance) P-C4' energy: -82.548
flat angles C4'-P-C4' energy: -77.533
flat angles P-C4'-P energy: -45.820
tors. eta vs tors. theta energy: -22.938
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: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1793.057960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.057960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.057960 (E_RNA)
where:
Base-Base interactions energy: -1234.385
where: short stacking energy: -507.665
Base-Backbone interact. energy: -2.376
local terms energy: -556.296957
where:
bonds (distance) C4'-P energy: -105.573
bonds (distance) P-C4' energy: -96.983
flat angles C4'-P-C4' energy: -115.241
flat angles P-C4'-P energy: -87.385
tors. eta vs tors. theta energy: -151.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1694.948879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.948879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.948879 (E_RNA)
where:
Base-Base interactions energy: -1156.533
where: short stacking energy: -474.129
Base-Backbone interact. energy: -3.267
local terms energy: -535.148675
where:
bonds (distance) C4'-P energy: -98.885
bonds (distance) P-C4' energy: -102.042
flat angles C4'-P-C4' energy: -120.822
flat angles P-C4'-P energy: -72.539
tors. eta vs tors. theta energy: -140.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1595.691930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.691930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.691930 (E_RNA)
where:
Base-Base interactions energy: -1093.336
where: short stacking energy: -475.772
Base-Backbone interact. energy: -3.043
local terms energy: -499.313242
where:
bonds (distance) C4'-P energy: -87.845
bonds (distance) P-C4' energy: -99.073
flat angles C4'-P-C4' energy: -105.485
flat angles P-C4'-P energy: -73.552
tors. eta vs tors. theta energy: -133.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1503.534912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.534912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.534912 (E_RNA)
where:
Base-Base interactions energy: -1027.505
where: short stacking energy: -445.644
Base-Backbone interact. energy: 2.195
local terms energy: -478.225230
where:
bonds (distance) C4'-P energy: -92.975
bonds (distance) P-C4' energy: -88.426
flat angles C4'-P-C4' energy: -97.836
flat angles P-C4'-P energy: -60.889
tors. eta vs tors. theta energy: -138.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1382.020068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.020068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.020068 (E_RNA)
where:
Base-Base interactions energy: -921.565
where: short stacking energy: -422.577
Base-Backbone interact. energy: 0.173
local terms energy: -460.627884
where:
bonds (distance) C4'-P energy: -79.891
bonds (distance) P-C4' energy: -100.694
flat angles C4'-P-C4' energy: -99.718
flat angles P-C4'-P energy: -64.531
tors. eta vs tors. theta energy: -115.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1335.078811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.078811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.078811 (E_RNA)
where:
Base-Base interactions energy: -878.165
where: short stacking energy: -398.385
Base-Backbone interact. energy: -0.640
local terms energy: -456.273249
where:
bonds (distance) C4'-P energy: -75.867
bonds (distance) P-C4' energy: -103.096
flat angles C4'-P-C4' energy: -107.661
flat angles P-C4'-P energy: -64.715
tors. eta vs tors. theta energy: -104.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1082.574823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.574823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.574823 (E_RNA)
where:
Base-Base interactions energy: -675.889
where: short stacking energy: -312.197
Base-Backbone interact. energy: -0.314
local terms energy: -406.371561
where:
bonds (distance) C4'-P energy: -90.685
bonds (distance) P-C4' energy: -80.799
flat angles C4'-P-C4' energy: -98.777
flat angles P-C4'-P energy: -70.700
tors. eta vs tors. theta energy: -65.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -934.728149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.728149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.728149 (E_RNA)
where:
Base-Base interactions energy: -574.845
where: short stacking energy: -262.075
Base-Backbone interact. energy: -4.059
local terms energy: -355.823854
where:
bonds (distance) C4'-P energy: -80.866
bonds (distance) P-C4' energy: -95.126
flat angles C4'-P-C4' energy: -84.291
flat angles P-C4'-P energy: -48.390
tors. eta vs tors. theta energy: -47.150
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: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -619.351651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.351651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.351651 (E_RNA)
where:
Base-Base interactions energy: -340.924
where: short stacking energy: -186.224
Base-Backbone interact. energy: -1.085
local terms energy: -277.343258
where:
bonds (distance) C4'-P energy: -73.207
bonds (distance) P-C4' energy: -89.970
flat angles C4'-P-C4' energy: -69.493
flat angles P-C4'-P energy: -43.694
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -647.635739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.635739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.635739 (E_RNA)
where:
Base-Base interactions energy: -377.824
where: short stacking energy: -174.877
Base-Backbone interact. energy: -2.817
local terms energy: -266.994903
where:
bonds (distance) C4'-P energy: -81.250
bonds (distance) P-C4' energy: -72.283
flat angles C4'-P-C4' energy: -84.043
flat angles P-C4'-P energy: -37.467
tors. eta vs tors. theta energy: 8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1792.532023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.532023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.532023 (E_RNA)
where:
Base-Base interactions energy: -1223.393
where: short stacking energy: -493.048
Base-Backbone interact. energy: 0.882
local terms energy: -570.020697
where:
bonds (distance) C4'-P energy: -106.040
bonds (distance) P-C4' energy: -111.210
flat angles C4'-P-C4' energy: -115.425
flat angles P-C4'-P energy: -80.006
tors. eta vs tors. theta energy: -157.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1668.596442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.596442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.596442 (E_RNA)
where:
Base-Base interactions energy: -1153.729
where: short stacking energy: -494.411
Base-Backbone interact. energy: -1.851
local terms energy: -513.016928
where:
bonds (distance) C4'-P energy: -91.774
bonds (distance) P-C4' energy: -90.964
flat angles C4'-P-C4' energy: -116.519
flat angles P-C4'-P energy: -73.454
tors. eta vs tors. theta energy: -140.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1601.852400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.852400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.852400 (E_RNA)
where:
Base-Base interactions energy: -1077.878
where: short stacking energy: -500.752
Base-Backbone interact. energy: -0.652
local terms energy: -523.321883
where:
bonds (distance) C4'-P energy: -89.014
bonds (distance) P-C4' energy: -104.137
flat angles C4'-P-C4' energy: -116.464
flat angles P-C4'-P energy: -68.157
tors. eta vs tors. theta energy: -145.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1522.700529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.700529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.700529 (E_RNA)
where:
Base-Base interactions energy: -1027.043
where: short stacking energy: -447.199
Base-Backbone interact. energy: -2.628
local terms energy: -493.030106
where:
bonds (distance) C4'-P energy: -82.502
bonds (distance) P-C4' energy: -90.068
flat angles C4'-P-C4' energy: -118.224
flat angles P-C4'-P energy: -68.706
tors. eta vs tors. theta energy: -133.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1316.583071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.583071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.583071 (E_RNA)
where:
Base-Base interactions energy: -860.247
where: short stacking energy: -391.047
Base-Backbone interact. energy: -1.252
local terms energy: -455.083193
where:
bonds (distance) C4'-P energy: -85.246
bonds (distance) P-C4' energy: -99.585
flat angles C4'-P-C4' energy: -98.334
flat angles P-C4'-P energy: -64.402
tors. eta vs tors. theta energy: -107.515
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: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1250.129498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.129498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.129498 (E_RNA)
where:
Base-Base interactions energy: -811.341
where: short stacking energy: -362.724
Base-Backbone interact. energy: -1.391
local terms energy: -437.397640
where:
bonds (distance) C4'-P energy: -100.714
bonds (distance) P-C4' energy: -87.379
flat angles C4'-P-C4' energy: -93.257
flat angles P-C4'-P energy: -67.450
tors. eta vs tors. theta energy: -88.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1059.858654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.858654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.858654 (E_RNA)
where:
Base-Base interactions energy: -680.016
where: short stacking energy: -325.028
Base-Backbone interact. energy: -1.337
local terms energy: -378.505610
where:
bonds (distance) C4'-P energy: -79.625
bonds (distance) P-C4' energy: -86.863
flat angles C4'-P-C4' energy: -81.308
flat angles P-C4'-P energy: -62.436
tors. eta vs tors. theta energy: -68.273
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: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -916.159888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.159888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.159888 (E_RNA)
where:
Base-Base interactions energy: -587.715
where: short stacking energy: -273.224
Base-Backbone interact. energy: -2.452
local terms energy: -325.993466
where:
bonds (distance) C4'-P energy: -59.903
bonds (distance) P-C4' energy: -85.550
flat angles C4'-P-C4' energy: -85.028
flat angles P-C4'-P energy: -43.592
tors. eta vs tors. theta energy: -51.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -639.674632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.674632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.674632 (E_RNA)
where:
Base-Base interactions energy: -339.836
where: short stacking energy: -170.288
Base-Backbone interact. energy: -0.321
local terms energy: -299.517559
where:
bonds (distance) C4'-P energy: -95.672
bonds (distance) P-C4' energy: -85.393
flat angles C4'-P-C4' energy: -76.192
flat angles P-C4'-P energy: -47.944
tors. eta vs tors. theta energy: 5.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -594.925005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.925005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.925005 (E_RNA)
where:
Base-Base interactions energy: -324.139
where: short stacking energy: -158.105
Base-Backbone interact. energy: 3.706
local terms energy: -274.492727
where:
bonds (distance) C4'-P energy: -76.941
bonds (distance) P-C4' energy: -94.289
flat angles C4'-P-C4' energy: -73.591
flat angles P-C4'-P energy: -28.288
tors. eta vs tors. theta energy: -1.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1805.966356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.966356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.966356 (E_RNA)
where:
Base-Base interactions energy: -1270.271
where: short stacking energy: -549.229
Base-Backbone interact. energy: -1.777
local terms energy: -533.918176
where:
bonds (distance) C4'-P energy: -94.772
bonds (distance) P-C4' energy: -102.640
flat angles C4'-P-C4' energy: -109.200
flat angles P-C4'-P energy: -68.863
tors. eta vs tors. theta energy: -158.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1667.433280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.433280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.433280 (E_RNA)
where:
Base-Base interactions energy: -1156.418
where: short stacking energy: -478.910
Base-Backbone interact. energy: -2.646
local terms energy: -508.368600
where:
bonds (distance) C4'-P energy: -86.969
bonds (distance) P-C4' energy: -104.168
flat angles C4'-P-C4' energy: -109.662
flat angles P-C4'-P energy: -66.751
tors. eta vs tors. theta energy: -140.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1582.374570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.374570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.374570 (E_RNA)
where:
Base-Base interactions energy: -1056.205
where: short stacking energy: -458.891
Base-Backbone interact. energy: -3.029
local terms energy: -523.140842
where:
bonds (distance) C4'-P energy: -101.595
bonds (distance) P-C4' energy: -105.709
flat angles C4'-P-C4' energy: -108.970
flat angles P-C4'-P energy: -64.700
tors. eta vs tors. theta energy: -142.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1508.636239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.636239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.636239 (E_RNA)
where:
Base-Base interactions energy: -1003.463
where: short stacking energy: -436.935
Base-Backbone interact. energy: -1.898
local terms energy: -503.275361
where:
bonds (distance) C4'-P energy: -106.076
bonds (distance) P-C4' energy: -96.491
flat angles C4'-P-C4' energy: -108.745
flat angles P-C4'-P energy: -61.039
tors. eta vs tors. theta energy: -130.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1334.008167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.008167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.008167 (E_RNA)
where:
Base-Base interactions energy: -866.583
where: short stacking energy: -400.018
Base-Backbone interact. energy: -1.193
local terms energy: -466.232693
where:
bonds (distance) C4'-P energy: -96.995
bonds (distance) P-C4' energy: -96.621
flat angles C4'-P-C4' energy: -101.464
flat angles P-C4'-P energy: -59.015
tors. eta vs tors. theta energy: -112.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1284.169943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.169943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.169943 (E_RNA)
where:
Base-Base interactions energy: -853.491
where: short stacking energy: -377.441
Base-Backbone interact. energy: -2.044
local terms energy: -428.635603
where:
bonds (distance) C4'-P energy: -100.278
bonds (distance) P-C4' energy: -90.458
flat angles C4'-P-C4' energy: -96.198
flat angles P-C4'-P energy: -48.373
tors. eta vs tors. theta energy: -93.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1035.078545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.078545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.078545 (E_RNA)
where:
Base-Base interactions energy: -640.787
where: short stacking energy: -287.268
Base-Backbone interact. energy: -0.631
local terms energy: -393.660769
where:
bonds (distance) C4'-P energy: -99.139
bonds (distance) P-C4' energy: -93.841
flat angles C4'-P-C4' energy: -89.564
flat angles P-C4'-P energy: -65.716
tors. eta vs tors. theta energy: -45.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -940.199210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.199210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.199210 (E_RNA)
where:
Base-Base interactions energy: -599.411
where: short stacking energy: -277.243
Base-Backbone interact. energy: 3.016
local terms energy: -343.804075
where:
bonds (distance) C4'-P energy: -86.970
bonds (distance) P-C4' energy: -90.901
flat angles C4'-P-C4' energy: -72.927
flat angles P-C4'-P energy: -48.412
tors. eta vs tors. theta energy: -44.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -629.204817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.204817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.204817 (E_RNA)
where:
Base-Base interactions energy: -312.416
where: short stacking energy: -170.425
Base-Backbone interact. energy: 0.606
local terms energy: -317.394718
where:
bonds (distance) C4'-P energy: -84.253
bonds (distance) P-C4' energy: -84.391
flat angles C4'-P-C4' energy: -95.874
flat angles P-C4'-P energy: -44.355
tors. eta vs tors. theta energy: -8.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -668.607769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.607769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.607769 (E_RNA)
where:
Base-Base interactions energy: -360.996
where: short stacking energy: -172.125
Base-Backbone interact. energy: -2.081
local terms energy: -305.530440
where:
bonds (distance) C4'-P energy: -100.235
bonds (distance) P-C4' energy: -83.821
flat angles C4'-P-C4' energy: -79.598
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1819.033797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.033797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.033797 (E_RNA)
where:
Base-Base interactions energy: -1261.721
where: short stacking energy: -544.730
Base-Backbone interact. energy: -2.028
local terms energy: -555.284882
where:
bonds (distance) C4'-P energy: -102.541
bonds (distance) P-C4' energy: -94.848
flat angles C4'-P-C4' energy: -123.596
flat angles P-C4'-P energy: -74.770
tors. eta vs tors. theta energy: -159.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1672.569546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.569546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.569546 (E_RNA)
where:
Base-Base interactions energy: -1140.044
where: short stacking energy: -463.757
Base-Backbone interact. energy: -1.714
local terms energy: -530.811958
where:
bonds (distance) C4'-P energy: -91.906
bonds (distance) P-C4' energy: -102.801
flat angles C4'-P-C4' energy: -118.935
flat angles P-C4'-P energy: -68.236
tors. eta vs tors. theta energy: -148.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1610.966333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.966333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.966333 (E_RNA)
where:
Base-Base interactions energy: -1074.519
where: short stacking energy: -471.327
Base-Backbone interact. energy: -2.701
local terms energy: -533.746194
where:
bonds (distance) C4'-P energy: -94.023
bonds (distance) P-C4' energy: -101.881
flat angles C4'-P-C4' energy: -113.544
flat angles P-C4'-P energy: -82.968
tors. eta vs tors. theta energy: -141.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1562.917851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.917851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.917851 (E_RNA)
where:
Base-Base interactions energy: -1043.861
where: short stacking energy: -476.212
Base-Backbone interact. energy: -0.072
local terms energy: -518.984676
where:
bonds (distance) C4'-P energy: -91.602
bonds (distance) P-C4' energy: -98.010
flat angles C4'-P-C4' energy: -112.078
flat angles P-C4'-P energy: -79.210
tors. eta vs tors. theta energy: -138.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1355.742334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.742334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.742334 (E_RNA)
where:
Base-Base interactions energy: -913.035
where: short stacking energy: -408.787
Base-Backbone interact. energy: -1.181
local terms energy: -441.527063
where:
bonds (distance) C4'-P energy: -83.467
bonds (distance) P-C4' energy: -85.649
flat angles C4'-P-C4' energy: -105.322
flat angles P-C4'-P energy: -56.789
tors. eta vs tors. theta energy: -110.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1283.555140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.555140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.555140 (E_RNA)
where:
Base-Base interactions energy: -873.079
where: short stacking energy: -394.028
Base-Backbone interact. energy: 2.068
local terms energy: -412.544791
where:
bonds (distance) C4'-P energy: -68.726
bonds (distance) P-C4' energy: -81.083
flat angles C4'-P-C4' energy: -108.396
flat angles P-C4'-P energy: -61.039
tors. eta vs tors. theta energy: -93.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1051.110090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.110090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.110090 (E_RNA)
where:
Base-Base interactions energy: -670.928
where: short stacking energy: -306.476
Base-Backbone interact. energy: -1.431
local terms energy: -378.752060
where:
bonds (distance) C4'-P energy: -82.098
bonds (distance) P-C4' energy: -94.809
flat angles C4'-P-C4' energy: -89.868
flat angles P-C4'-P energy: -48.033
tors. eta vs tors. theta energy: -63.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -894.858041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.858041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.858041 (E_RNA)
where:
Base-Base interactions energy: -545.769
where: short stacking energy: -255.953
Base-Backbone interact. energy: -0.283
local terms energy: -348.805419
where:
bonds (distance) C4'-P energy: -79.076
bonds (distance) P-C4' energy: -89.105
flat angles C4'-P-C4' energy: -92.768
flat angles P-C4'-P energy: -40.805
tors. eta vs tors. theta energy: -47.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -663.525357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.525357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.525357 (E_RNA)
where:
Base-Base interactions energy: -365.014
where: short stacking energy: -206.223
Base-Backbone interact. energy: -0.547
local terms energy: -297.964821
where:
bonds (distance) C4'-P energy: -72.103
bonds (distance) P-C4' energy: -79.110
flat angles C4'-P-C4' energy: -80.391
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -23.752
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: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -719.263803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.263803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.263803 (E_RNA)
where:
Base-Base interactions energy: -394.892
where: short stacking energy: -198.795
Base-Backbone interact. energy: -0.613
local terms energy: -323.758482
where:
bonds (distance) C4'-P energy: -88.780
bonds (distance) P-C4' energy: -77.243
flat angles C4'-P-C4' energy: -82.924
flat angles P-C4'-P energy: -43.991
tors. eta vs tors. theta energy: -30.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1799.665688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.665688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.665688 (E_RNA)
where:
Base-Base interactions energy: -1234.967
where: short stacking energy: -541.989
Base-Backbone interact. energy: 1.379
local terms energy: -566.509025
where:
bonds (distance) C4'-P energy: -115.087
bonds (distance) P-C4' energy: -102.966
flat angles C4'-P-C4' energy: -107.637
flat angles P-C4'-P energy: -78.600
tors. eta vs tors. theta energy: -162.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.432 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1661.685044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.685044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.685044 (E_RNA)
where:
Base-Base interactions energy: -1150.229
where: short stacking energy: -475.690
Base-Backbone interact. energy: -1.147
local terms energy: -510.309153
where:
bonds (distance) C4'-P energy: -93.721
bonds (distance) P-C4' energy: -101.709
flat angles C4'-P-C4' energy: -102.264
flat angles P-C4'-P energy: -74.914
tors. eta vs tors. theta energy: -137.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1570.380811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.380811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.380811 (E_RNA)
where:
Base-Base interactions energy: -1068.886
where: short stacking energy: -468.713
Base-Backbone interact. energy: -3.052
local terms energy: -498.442121
where:
bonds (distance) C4'-P energy: -83.141
bonds (distance) P-C4' energy: -92.880
flat angles C4'-P-C4' energy: -116.607
flat angles P-C4'-P energy: -79.726
tors. eta vs tors. theta energy: -126.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1508.382149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.382149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.382149 (E_RNA)
where:
Base-Base interactions energy: -1007.757
where: short stacking energy: -430.751
Base-Backbone interact. energy: -2.735
local terms energy: -497.890521
where:
bonds (distance) C4'-P energy: -97.346
bonds (distance) P-C4' energy: -99.116
flat angles C4'-P-C4' energy: -93.556
flat angles P-C4'-P energy: -77.169
tors. eta vs tors. theta energy: -130.703
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: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1327.775468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.775468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.775468 (E_RNA)
where:
Base-Base interactions energy: -856.082
where: short stacking energy: -384.975
Base-Backbone interact. energy: -0.786
local terms energy: -470.907569
where:
bonds (distance) C4'-P energy: -85.068
bonds (distance) P-C4' energy: -90.730
flat angles C4'-P-C4' energy: -104.343
flat angles P-C4'-P energy: -80.386
tors. eta vs tors. theta energy: -110.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1247.188374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.188374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.188374 (E_RNA)
where:
Base-Base interactions energy: -801.321
where: short stacking energy: -365.743
Base-Backbone interact. energy: -1.095
local terms energy: -444.773241
where:
bonds (distance) C4'-P energy: -100.516
bonds (distance) P-C4' energy: -92.093
flat angles C4'-P-C4' energy: -105.888
flat angles P-C4'-P energy: -63.741
tors. eta vs tors. theta energy: -82.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1040.491048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.491048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.491048 (E_RNA)
where:
Base-Base interactions energy: -661.297
where: short stacking energy: -312.997
Base-Backbone interact. energy: -0.028
local terms energy: -379.166629
where:
bonds (distance) C4'-P energy: -79.879
bonds (distance) P-C4' energy: -88.169
flat angles C4'-P-C4' energy: -91.060
flat angles P-C4'-P energy: -52.336
tors. eta vs tors. theta energy: -67.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -940.995405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.995405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.995405 (E_RNA)
where:
Base-Base interactions energy: -580.767
where: short stacking energy: -278.487
Base-Backbone interact. energy: 3.919
local terms energy: -364.147082
where:
bonds (distance) C4'-P energy: -66.770
bonds (distance) P-C4' energy: -85.489
flat angles C4'-P-C4' energy: -85.475
flat angles P-C4'-P energy: -63.456
tors. eta vs tors. theta energy: -62.958
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: 9, replica: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -689.832425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.832425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.832425 (E_RNA)
where:
Base-Base interactions energy: -389.543
where: short stacking energy: -218.732
Base-Backbone interact. energy: 3.814
local terms energy: -304.103568
where:
bonds (distance) C4'-P energy: -78.119
bonds (distance) P-C4' energy: -72.073
flat angles C4'-P-C4' energy: -74.988
flat angles P-C4'-P energy: -53.405
tors. eta vs tors. theta energy: -25.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -674.940878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.940878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.940878 (E_RNA)
where:
Base-Base interactions energy: -372.985
where: short stacking energy: -181.785
Base-Backbone interact. energy: -3.318
local terms energy: -298.637630
where:
bonds (distance) C4'-P energy: -70.058
bonds (distance) P-C4' energy: -88.753
flat angles C4'-P-C4' energy: -81.620
flat angles P-C4'-P energy: -51.773
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1776.547218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.547218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.547218 (E_RNA)
where:
Base-Base interactions energy: -1216.874
where: short stacking energy: -524.186
Base-Backbone interact. energy: -0.383
local terms energy: -559.289973
where:
bonds (distance) C4'-P energy: -101.408
bonds (distance) P-C4' energy: -110.053
flat angles C4'-P-C4' energy: -117.993
flat angles P-C4'-P energy: -71.828
tors. eta vs tors. theta energy: -158.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1655.776728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.776728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.776728 (E_RNA)
where:
Base-Base interactions energy: -1129.073
where: short stacking energy: -481.745
Base-Backbone interact. energy: -1.387
local terms energy: -525.316319
where:
bonds (distance) C4'-P energy: -99.752
bonds (distance) P-C4' energy: -92.446
flat angles C4'-P-C4' energy: -114.893
flat angles P-C4'-P energy: -75.306
tors. eta vs tors. theta energy: -142.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1600.144532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.144532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.144532 (E_RNA)
where:
Base-Base interactions energy: -1061.801
where: short stacking energy: -462.660
Base-Backbone interact. energy: 2.149
local terms energy: -540.492146
where:
bonds (distance) C4'-P energy: -104.388
bonds (distance) P-C4' energy: -104.852
flat angles C4'-P-C4' energy: -110.147
flat angles P-C4'-P energy: -80.764
tors. eta vs tors. theta energy: -140.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1495.872747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.872747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.872747 (E_RNA)
where:
Base-Base interactions energy: -1017.860
where: short stacking energy: -463.915
Base-Backbone interact. energy: -0.673
local terms energy: -477.339363
where:
bonds (distance) C4'-P energy: -77.653
bonds (distance) P-C4' energy: -90.940
flat angles C4'-P-C4' energy: -103.513
flat angles P-C4'-P energy: -73.046
tors. eta vs tors. theta energy: -132.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1356.718514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.718514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.718514 (E_RNA)
where:
Base-Base interactions energy: -903.488
where: short stacking energy: -419.628
Base-Backbone interact. energy: -1.014
local terms energy: -452.216460
where:
bonds (distance) C4'-P energy: -99.152
bonds (distance) P-C4' energy: -65.705
flat angles C4'-P-C4' energy: -104.622
flat angles P-C4'-P energy: -67.092
tors. eta vs tors. theta energy: -115.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1283.480765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.480765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.480765 (E_RNA)
where:
Base-Base interactions energy: -855.226
where: short stacking energy: -380.461
Base-Backbone interact. energy: -1.588
local terms energy: -426.667019
where:
bonds (distance) C4'-P energy: -80.096
bonds (distance) P-C4' energy: -98.754
flat angles C4'-P-C4' energy: -96.258
flat angles P-C4'-P energy: -59.238
tors. eta vs tors. theta energy: -92.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1061.949407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.949407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.949407 (E_RNA)
where:
Base-Base interactions energy: -646.891
where: short stacking energy: -320.221
Base-Backbone interact. energy: -2.431
local terms energy: -412.627766
where:
bonds (distance) C4'-P energy: -95.249
bonds (distance) P-C4' energy: -98.902
flat angles C4'-P-C4' energy: -85.690
flat angles P-C4'-P energy: -58.370
tors. eta vs tors. theta energy: -74.417
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: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -888.930471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.930471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.930471 (E_RNA)
where:
Base-Base interactions energy: -532.762
where: short stacking energy: -267.861
Base-Backbone interact. energy: -0.346
local terms energy: -355.823025
where:
bonds (distance) C4'-P energy: -84.302
bonds (distance) P-C4' energy: -91.516
flat angles C4'-P-C4' energy: -87.064
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: -46.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -758.890446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.890446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.890446 (E_RNA)
where:
Base-Base interactions energy: -421.313
where: short stacking energy: -218.786
Base-Backbone interact. energy: -2.441
local terms energy: -335.136294
where:
bonds (distance) C4'-P energy: -73.836
bonds (distance) P-C4' energy: -78.171
flat angles C4'-P-C4' energy: -95.355
flat angles P-C4'-P energy: -43.982
tors. eta vs tors. theta energy: -43.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -677.651561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.651561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.651561 (E_RNA)
where:
Base-Base interactions energy: -392.047
where: short stacking energy: -170.435
Base-Backbone interact. energy: 3.016
local terms energy: -288.620319
where:
bonds (distance) C4'-P energy: -80.149
bonds (distance) P-C4' energy: -80.661
flat angles C4'-P-C4' energy: -72.908
flat angles P-C4'-P energy: -46.724
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1780.876138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.876138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.876138 (E_RNA)
where:
Base-Base interactions energy: -1214.765
where: short stacking energy: -535.605
Base-Backbone interact. energy: -3.025
local terms energy: -563.086147
where:
bonds (distance) C4'-P energy: -106.348
bonds (distance) P-C4' energy: -107.614
flat angles C4'-P-C4' energy: -118.406
flat angles P-C4'-P energy: -67.032
tors. eta vs tors. theta energy: -163.685
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: 2, replica: 8
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1657.947510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.947510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.947510 (E_RNA)
where:
Base-Base interactions energy: -1123.384
where: short stacking energy: -494.379
Base-Backbone interact. energy: -3.119
local terms energy: -531.444746
where:
bonds (distance) C4'-P energy: -104.860
bonds (distance) P-C4' energy: -93.888
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -75.135
tors. eta vs tors. theta energy: -138.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1585.287584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.287584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.287584 (E_RNA)
where:
Base-Base interactions energy: -1078.466
where: short stacking energy: -466.946
Base-Backbone interact. energy: -0.231
local terms energy: -506.590466
where:
bonds (distance) C4'-P energy: -93.683
bonds (distance) P-C4' energy: -95.642
flat angles C4'-P-C4' energy: -111.702
flat angles P-C4'-P energy: -65.627
tors. eta vs tors. theta energy: -139.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1496.772535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.772535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.772535 (E_RNA)
where:
Base-Base interactions energy: -1018.383
where: short stacking energy: -439.952
Base-Backbone interact. energy: -2.511
local terms energy: -475.878383
where:
bonds (distance) C4'-P energy: -92.181
bonds (distance) P-C4' energy: -80.381
flat angles C4'-P-C4' energy: -105.788
flat angles P-C4'-P energy: -60.894
tors. eta vs tors. theta energy: -136.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1345.513248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.513248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.513248 (E_RNA)
where:
Base-Base interactions energy: -865.530
where: short stacking energy: -402.303
Base-Backbone interact. energy: -3.585
local terms energy: -476.398237
where:
bonds (distance) C4'-P energy: -101.916
bonds (distance) P-C4' energy: -85.105
flat angles C4'-P-C4' energy: -104.557
flat angles P-C4'-P energy: -66.186
tors. eta vs tors. theta energy: -118.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1262.633658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.633658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.633658 (E_RNA)
where:
Base-Base interactions energy: -847.207
where: short stacking energy: -375.014
Base-Backbone interact. energy: 0.332
local terms energy: -415.758192
where:
bonds (distance) C4'-P energy: -90.726
bonds (distance) P-C4' energy: -83.753
flat angles C4'-P-C4' energy: -102.079
flat angles P-C4'-P energy: -47.711
tors. eta vs tors. theta energy: -91.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1092.676113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.676113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.676113 (E_RNA)
where:
Base-Base interactions energy: -687.629
where: short stacking energy: -331.037
Base-Backbone interact. energy: 1.771
local terms energy: -406.818180
where:
bonds (distance) C4'-P energy: -88.068
bonds (distance) P-C4' energy: -91.468
flat angles C4'-P-C4' energy: -92.059
flat angles P-C4'-P energy: -46.932
tors. eta vs tors. theta energy: -88.291
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: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -910.121414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.121414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.121414 (E_RNA)
where:
Base-Base interactions energy: -545.317
where: short stacking energy: -258.353
Base-Backbone interact. energy: 0.745
local terms energy: -365.549253
where:
bonds (distance) C4'-P energy: -91.444
bonds (distance) P-C4' energy: -87.916
flat angles C4'-P-C4' energy: -72.225
flat angles P-C4'-P energy: -62.011
tors. eta vs tors. theta energy: -51.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -802.551204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.551204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.551204 (E_RNA)
where:
Base-Base interactions energy: -465.451
where: short stacking energy: -207.997
Base-Backbone interact. energy: 0.799
local terms energy: -337.899218
where:
bonds (distance) C4'-P energy: -82.674
bonds (distance) P-C4' energy: -96.484
flat angles C4'-P-C4' energy: -65.872
flat angles P-C4'-P energy: -45.913
tors. eta vs tors. theta energy: -46.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -637.540155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.540155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.540155 (E_RNA)
where:
Base-Base interactions energy: -367.753
where: short stacking energy: -169.962
Base-Backbone interact. energy: -2.420
local terms energy: -267.367423
where:
bonds (distance) C4'-P energy: -57.529
bonds (distance) P-C4' energy: -85.886
flat angles C4'-P-C4' energy: -85.738
flat angles P-C4'-P energy: -47.410
tors. eta vs tors. theta energy: 9.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1771.196563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.196563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.196563 (E_RNA)
where:
Base-Base interactions energy: -1210.528
where: short stacking energy: -516.379
Base-Backbone interact. energy: -1.026
local terms energy: -559.642290
where:
bonds (distance) C4'-P energy: -115.289
bonds (distance) P-C4' energy: -103.475
flat angles C4'-P-C4' energy: -111.600
flat angles P-C4'-P energy: -73.659
tors. eta vs tors. theta energy: -155.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1656.780306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.780306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.780306 (E_RNA)
where:
Base-Base interactions energy: -1138.146
where: short stacking energy: -465.012
Base-Backbone interact. energy: -1.774
local terms energy: -516.860106
where:
bonds (distance) C4'-P energy: -98.412
bonds (distance) P-C4' energy: -101.859
flat angles C4'-P-C4' energy: -117.226
flat angles P-C4'-P energy: -73.552
tors. eta vs tors. theta energy: -125.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1578.541678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.541678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.541678 (E_RNA)
where:
Base-Base interactions energy: -1085.443
where: short stacking energy: -464.956
Base-Backbone interact. energy: -3.299
local terms energy: -489.799577
where:
bonds (distance) C4'-P energy: -99.593
bonds (distance) P-C4' energy: -86.853
flat angles C4'-P-C4' energy: -104.664
flat angles P-C4'-P energy: -66.176
tors. eta vs tors. theta energy: -132.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1493.659366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.659366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.659366 (E_RNA)
where:
Base-Base interactions energy: -1019.633
where: short stacking energy: -438.299
Base-Backbone interact. energy: 1.308
local terms energy: -475.333850
where:
bonds (distance) C4'-P energy: -82.010
bonds (distance) P-C4' energy: -92.407
flat angles C4'-P-C4' energy: -109.312
flat angles P-C4'-P energy: -63.338
tors. eta vs tors. theta energy: -128.267
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: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1357.971584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.971584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.971584 (E_RNA)
where:
Base-Base interactions energy: -915.388
where: short stacking energy: -394.385
Base-Backbone interact. energy: -2.123
local terms energy: -440.460682
where:
bonds (distance) C4'-P energy: -80.584
bonds (distance) P-C4' energy: -87.003
flat angles C4'-P-C4' energy: -94.915
flat angles P-C4'-P energy: -62.026
tors. eta vs tors. theta energy: -115.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1299.424526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.424526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.424526 (E_RNA)
where:
Base-Base interactions energy: -864.923
where: short stacking energy: -372.623
Base-Backbone interact. energy: -1.328
local terms energy: -433.173668
where:
bonds (distance) C4'-P energy: -91.907
bonds (distance) P-C4' energy: -90.627
flat angles C4'-P-C4' energy: -93.866
flat angles P-C4'-P energy: -68.228
tors. eta vs tors. theta energy: -88.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1042.807273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.807273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.807273 (E_RNA)
where:
Base-Base interactions energy: -671.649
where: short stacking energy: -310.345
Base-Backbone interact. energy: -4.425
local terms energy: -366.732701
where:
bonds (distance) C4'-P energy: -60.246
bonds (distance) P-C4' energy: -84.024
flat angles C4'-P-C4' energy: -86.832
flat angles P-C4'-P energy: -62.234
tors. eta vs tors. theta energy: -73.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -941.012599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.012599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.012599 (E_RNA)
where:
Base-Base interactions energy: -569.479
where: short stacking energy: -298.245
Base-Backbone interact. energy: -0.376
local terms energy: -371.157598
where:
bonds (distance) C4'-P energy: -76.648
bonds (distance) P-C4' energy: -89.359
flat angles C4'-P-C4' energy: -95.970
flat angles P-C4'-P energy: -51.085
tors. eta vs tors. theta energy: -58.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -804.283169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.283169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.283169 (E_RNA)
where:
Base-Base interactions energy: -468.050
where: short stacking energy: -249.849
Base-Backbone interact. energy: -1.200
local terms energy: -335.033508
where:
bonds (distance) C4'-P energy: -77.608
bonds (distance) P-C4' energy: -82.997
flat angles C4'-P-C4' energy: -80.858
flat angles P-C4'-P energy: -56.090
tors. eta vs tors. theta energy: -37.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -649.095357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.095357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.095357 (E_RNA)
where:
Base-Base interactions energy: -338.840
where: short stacking energy: -180.951
Base-Backbone interact. energy: 2.755
local terms energy: -313.010288
where:
bonds (distance) C4'-P energy: -90.000
bonds (distance) P-C4' energy: -83.359
flat angles C4'-P-C4' energy: -87.307
flat angles P-C4'-P energy: -31.668
tors. eta vs tors. theta energy: -20.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1781.587766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.587766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.587766 (E_RNA)
where:
Base-Base interactions energy: -1232.621
where: short stacking energy: -529.827
Base-Backbone interact. energy: -1.852
local terms energy: -547.115006
where:
bonds (distance) C4'-P energy: -107.150
bonds (distance) P-C4' energy: -110.539
flat angles C4'-P-C4' energy: -103.495
flat angles P-C4'-P energy: -67.278
tors. eta vs tors. theta energy: -158.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1710.122987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.122987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.122987 (E_RNA)
where:
Base-Base interactions energy: -1182.240
where: short stacking energy: -490.352
Base-Backbone interact. energy: -1.005
local terms energy: -526.877450
where:
bonds (distance) C4'-P energy: -93.086
bonds (distance) P-C4' energy: -108.606
flat angles C4'-P-C4' energy: -109.721
flat angles P-C4'-P energy: -79.776
tors. eta vs tors. theta energy: -135.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1532.901904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.901904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.901904 (E_RNA)
where:
Base-Base interactions energy: -1040.021
where: short stacking energy: -451.845
Base-Backbone interact. energy: -1.774
local terms energy: -491.106643
where:
bonds (distance) C4'-P energy: -85.441
bonds (distance) P-C4' energy: -93.388
flat angles C4'-P-C4' energy: -112.134
flat angles P-C4'-P energy: -59.631
tors. eta vs tors. theta energy: -140.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1505.479355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.479355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.479355 (E_RNA)
where:
Base-Base interactions energy: -1026.783
where: short stacking energy: -427.935
Base-Backbone interact. energy: -1.024
local terms energy: -477.672453
where:
bonds (distance) C4'-P energy: -95.969
bonds (distance) P-C4' energy: -86.909
flat angles C4'-P-C4' energy: -105.404
flat angles P-C4'-P energy: -73.580
tors. eta vs tors. theta energy: -115.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1353.712307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.712307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.712307 (E_RNA)
where:
Base-Base interactions energy: -891.094
where: short stacking energy: -390.409
Base-Backbone interact. energy: 0.817
local terms energy: -463.435215
where:
bonds (distance) C4'-P energy: -93.142
bonds (distance) P-C4' energy: -102.267
flat angles C4'-P-C4' energy: -99.127
flat angles P-C4'-P energy: -58.917
tors. eta vs tors. theta energy: -109.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1275.773190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.773190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.773190 (E_RNA)
where:
Base-Base interactions energy: -847.857
where: short stacking energy: -389.486
Base-Backbone interact. energy: -0.179
local terms energy: -427.737078
where:
bonds (distance) C4'-P energy: -81.479
bonds (distance) P-C4' energy: -87.822
flat angles C4'-P-C4' energy: -102.639
flat angles P-C4'-P energy: -64.598
tors. eta vs tors. theta energy: -91.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1034.998991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.998991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.998991 (E_RNA)
where:
Base-Base interactions energy: -661.926
where: short stacking energy: -305.093
Base-Backbone interact. energy: -0.605
local terms energy: -372.467293
where:
bonds (distance) C4'-P energy: -78.658
bonds (distance) P-C4' energy: -88.098
flat angles C4'-P-C4' energy: -93.808
flat angles P-C4'-P energy: -59.670
tors. eta vs tors. theta energy: -52.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -920.365674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.365674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.365674 (E_RNA)
where:
Base-Base interactions energy: -593.236
where: short stacking energy: -270.124
Base-Backbone interact. energy: 0.676
local terms energy: -327.805537
where:
bonds (distance) C4'-P energy: -61.896
bonds (distance) P-C4' energy: -87.260
flat angles C4'-P-C4' energy: -92.854
flat angles P-C4'-P energy: -41.089
tors. eta vs tors. theta energy: -44.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -801.944461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.944461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.944461 (E_RNA)
where:
Base-Base interactions energy: -489.416
where: short stacking energy: -239.143
Base-Backbone interact. energy: 0.514
local terms energy: -313.042239
where:
bonds (distance) C4'-P energy: -74.271
bonds (distance) P-C4' energy: -79.190
flat angles C4'-P-C4' energy: -81.588
flat angles P-C4'-P energy: -43.197
tors. eta vs tors. theta energy: -34.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -675.790418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.790418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.790418 (E_RNA)
where:
Base-Base interactions energy: -364.572
where: short stacking energy: -180.019
Base-Backbone interact. energy: -1.708
local terms energy: -309.510965
where:
bonds (distance) C4'-P energy: -97.451
bonds (distance) P-C4' energy: -80.616
flat angles C4'-P-C4' energy: -86.063
flat angles P-C4'-P energy: -34.925
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1738.348180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.348180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.348180 (E_RNA)
where:
Base-Base interactions energy: -1188.838
where: short stacking energy: -504.459
Base-Backbone interact. energy: -2.155
local terms energy: -547.355478
where:
bonds (distance) C4'-P energy: -99.829
bonds (distance) P-C4' energy: -99.558
flat angles C4'-P-C4' energy: -115.501
flat angles P-C4'-P energy: -79.778
tors. eta vs tors. theta energy: -152.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1683.351129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.351129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.351129 (E_RNA)
where:
Base-Base interactions energy: -1143.089
where: short stacking energy: -482.176
Base-Backbone interact. energy: -3.256
local terms energy: -537.005552
where:
bonds (distance) C4'-P energy: -102.112
bonds (distance) P-C4' energy: -95.172
flat angles C4'-P-C4' energy: -111.077
flat angles P-C4'-P energy: -86.935
tors. eta vs tors. theta energy: -141.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1541.004541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.004541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.004541 (E_RNA)
where:
Base-Base interactions energy: -1039.296
where: short stacking energy: -473.980
Base-Backbone interact. energy: 0.054
local terms energy: -501.761865
where:
bonds (distance) C4'-P energy: -88.354
bonds (distance) P-C4' energy: -90.709
flat angles C4'-P-C4' energy: -108.070
flat angles P-C4'-P energy: -75.909
tors. eta vs tors. theta energy: -138.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1455.724562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.724562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.724562 (E_RNA)
where:
Base-Base interactions energy: -958.190
where: short stacking energy: -427.699
Base-Backbone interact. energy: 0.667
local terms energy: -498.201171
where:
bonds (distance) C4'-P energy: -91.386
bonds (distance) P-C4' energy: -102.927
flat angles C4'-P-C4' energy: -110.199
flat angles P-C4'-P energy: -72.496
tors. eta vs tors. theta energy: -121.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1332.223624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.223624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.223624 (E_RNA)
where:
Base-Base interactions energy: -868.427
where: short stacking energy: -394.824
Base-Backbone interact. energy: -1.530
local terms energy: -462.267033
where:
bonds (distance) C4'-P energy: -95.434
bonds (distance) P-C4' energy: -98.226
flat angles C4'-P-C4' energy: -100.643
flat angles P-C4'-P energy: -57.820
tors. eta vs tors. theta energy: -110.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1284.402387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.402387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.402387 (E_RNA)
where:
Base-Base interactions energy: -872.635
where: short stacking energy: -355.510
Base-Backbone interact. energy: -1.387
local terms energy: -410.379694
where:
bonds (distance) C4'-P energy: -79.912
bonds (distance) P-C4' energy: -85.469
flat angles C4'-P-C4' energy: -102.413
flat angles P-C4'-P energy: -55.249
tors. eta vs tors. theta energy: -87.337
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: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1057.087454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.087454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.087454 (E_RNA)
where:
Base-Base interactions energy: -668.999
where: short stacking energy: -299.421
Base-Backbone interact. energy: -1.940
local terms energy: -386.147989
where:
bonds (distance) C4'-P energy: -92.619
bonds (distance) P-C4' energy: -89.260
flat angles C4'-P-C4' energy: -95.517
flat angles P-C4'-P energy: -51.720
tors. eta vs tors. theta energy: -57.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -935.967578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.967578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.967578 (E_RNA)
where:
Base-Base interactions energy: -585.731
where: short stacking energy: -288.136
Base-Backbone interact. energy: 5.115
local terms energy: -355.352326
where:
bonds (distance) C4'-P energy: -88.614
bonds (distance) P-C4' energy: -87.843
flat angles C4'-P-C4' energy: -82.045
flat angles P-C4'-P energy: -42.057
tors. eta vs tors. theta energy: -54.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -796.202462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.202462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.202462 (E_RNA)
where:
Base-Base interactions energy: -481.666
where: short stacking energy: -214.149
Base-Backbone interact. energy: 0.037
local terms energy: -314.572868
where:
bonds (distance) C4'-P energy: -65.085
bonds (distance) P-C4' energy: -86.023
flat angles C4'-P-C4' energy: -74.725
flat angles P-C4'-P energy: -62.283
tors. eta vs tors. theta energy: -26.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -669.321833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.321833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.321833 (E_RNA)
where:
Base-Base interactions energy: -363.959
where: short stacking energy: -158.605
Base-Backbone interact. energy: 2.899
local terms energy: -308.262101
where:
bonds (distance) C4'-P energy: -70.978
bonds (distance) P-C4' energy: -89.606
flat angles C4'-P-C4' energy: -76.932
flat angles P-C4'-P energy: -66.797
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1772.707648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.707648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.707648 (E_RNA)
where:
Base-Base interactions energy: -1218.381
where: short stacking energy: -539.010
Base-Backbone interact. energy: 0.382
local terms energy: -554.709201
where:
bonds (distance) C4'-P energy: -106.598
bonds (distance) P-C4' energy: -101.897
flat angles C4'-P-C4' energy: -111.180
flat angles P-C4'-P energy: -79.293
tors. eta vs tors. theta energy: -155.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1703.726535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.726535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.726535 (E_RNA)
where:
Base-Base interactions energy: -1171.790
where: short stacking energy: -492.773
Base-Backbone interact. energy: -5.440
local terms energy: -526.496655
where:
bonds (distance) C4'-P energy: -94.434
bonds (distance) P-C4' energy: -101.642
flat angles C4'-P-C4' energy: -109.718
flat angles P-C4'-P energy: -79.834
tors. eta vs tors. theta energy: -140.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1557.204381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.204381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.204381 (E_RNA)
where:
Base-Base interactions energy: -1044.923
where: short stacking energy: -463.738
Base-Backbone interact. energy: 0.132
local terms energy: -512.413815
where:
bonds (distance) C4'-P energy: -88.284
bonds (distance) P-C4' energy: -105.779
flat angles C4'-P-C4' energy: -107.719
flat angles P-C4'-P energy: -76.011
tors. eta vs tors. theta energy: -134.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1520.849215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.849215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.849215 (E_RNA)
where:
Base-Base interactions energy: -1016.452
where: short stacking energy: -447.618
Base-Backbone interact. energy: -3.437
local terms energy: -500.960822
where:
bonds (distance) C4'-P energy: -95.440
bonds (distance) P-C4' energy: -101.827
flat angles C4'-P-C4' energy: -112.951
flat angles P-C4'-P energy: -76.434
tors. eta vs tors. theta energy: -114.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1330.611309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.611309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.611309 (E_RNA)
where:
Base-Base interactions energy: -893.042
where: short stacking energy: -375.495
Base-Backbone interact. energy: 0.779
local terms energy: -438.347901
where:
bonds (distance) C4'-P energy: -90.147
bonds (distance) P-C4' energy: -101.914
flat angles C4'-P-C4' energy: -99.747
flat angles P-C4'-P energy: -58.234
tors. eta vs tors. theta energy: -88.306
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: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1327.491056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.491056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.491056 (E_RNA)
where:
Base-Base interactions energy: -872.994
where: short stacking energy: -390.206
Base-Backbone interact. energy: -2.781
local terms energy: -451.716035
where:
bonds (distance) C4'-P energy: -78.166
bonds (distance) P-C4' energy: -113.574
flat angles C4'-P-C4' energy: -84.354
flat angles P-C4'-P energy: -60.202
tors. eta vs tors. theta energy: -115.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1058.400846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.400846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.400846 (E_RNA)
where:
Base-Base interactions energy: -668.237
where: short stacking energy: -316.526
Base-Backbone interact. energy: -0.133
local terms energy: -390.031412
where:
bonds (distance) C4'-P energy: -85.761
bonds (distance) P-C4' energy: -89.716
flat angles C4'-P-C4' energy: -86.125
flat angles P-C4'-P energy: -59.698
tors. eta vs tors. theta energy: -68.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -949.425840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.425840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.425840 (E_RNA)
where:
Base-Base interactions energy: -607.699
where: short stacking energy: -294.377
Base-Backbone interact. energy: 2.039
local terms energy: -343.766209
where:
bonds (distance) C4'-P energy: -81.586
bonds (distance) P-C4' energy: -73.477
flat angles C4'-P-C4' energy: -86.338
flat angles P-C4'-P energy: -45.302
tors. eta vs tors. theta energy: -57.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -829.125194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.125194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.125194 (E_RNA)
where:
Base-Base interactions energy: -488.711
where: short stacking energy: -211.229
Base-Backbone interact. energy: -3.146
local terms energy: -337.268207
where:
bonds (distance) C4'-P energy: -67.908
bonds (distance) P-C4' energy: -94.710
flat angles C4'-P-C4' energy: -88.233
flat angles P-C4'-P energy: -53.533
tors. eta vs tors. theta energy: -32.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -686.250663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.250663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.250663 (E_RNA)
where:
Base-Base interactions energy: -398.392
where: short stacking energy: -198.007
Base-Backbone interact. energy: 3.518
local terms energy: -291.377027
where:
bonds (distance) C4'-P energy: -72.884
bonds (distance) P-C4' energy: -85.397
flat angles C4'-P-C4' energy: -78.823
flat angles P-C4'-P energy: -43.242
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1745.646586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.646586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.646586 (E_RNA)
where:
Base-Base interactions energy: -1189.217
where: short stacking energy: -502.271
Base-Backbone interact. energy: -2.773
local terms energy: -553.657016
where:
bonds (distance) C4'-P energy: -95.309
bonds (distance) P-C4' energy: -115.588
flat angles C4'-P-C4' energy: -115.514
flat angles P-C4'-P energy: -76.134
tors. eta vs tors. theta energy: -151.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1683.499641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.499641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.499641 (E_RNA)
where:
Base-Base interactions energy: -1129.328
where: short stacking energy: -471.712
Base-Backbone interact. energy: -4.320
local terms energy: -549.851256
where:
bonds (distance) C4'-P energy: -97.848
bonds (distance) P-C4' energy: -116.401
flat angles C4'-P-C4' energy: -112.604
flat angles P-C4'-P energy: -85.691
tors. eta vs tors. theta energy: -137.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1552.924517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.924517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.924517 (E_RNA)
where:
Base-Base interactions energy: -1057.891
where: short stacking energy: -456.431
Base-Backbone interact. energy: 3.498
local terms energy: -498.531988
where:
bonds (distance) C4'-P energy: -90.200
bonds (distance) P-C4' energy: -103.004
flat angles C4'-P-C4' energy: -110.162
flat angles P-C4'-P energy: -71.259
tors. eta vs tors. theta energy: -123.907
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: 4, replica: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1520.984320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.984320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.984320 (E_RNA)
where:
Base-Base interactions energy: -1030.886
where: short stacking energy: -435.295
Base-Backbone interact. energy: -3.270
local terms energy: -486.828540
where:
bonds (distance) C4'-P energy: -89.339
bonds (distance) P-C4' energy: -104.997
flat angles C4'-P-C4' energy: -105.365
flat angles P-C4'-P energy: -58.311
tors. eta vs tors. theta energy: -128.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1324.281967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.281967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.281967 (E_RNA)
where:
Base-Base interactions energy: -905.867
where: short stacking energy: -398.756
Base-Backbone interact. energy: -0.437
local terms energy: -417.978559
where:
bonds (distance) C4'-P energy: -88.000
bonds (distance) P-C4' energy: -76.131
flat angles C4'-P-C4' energy: -105.830
flat angles P-C4'-P energy: -48.461
tors. eta vs tors. theta energy: -99.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1294.379142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.379142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.379142 (E_RNA)
where:
Base-Base interactions energy: -842.251
where: short stacking energy: -385.525
Base-Backbone interact. energy: -0.815
local terms energy: -451.313678
where:
bonds (distance) C4'-P energy: -88.912
bonds (distance) P-C4' energy: -89.278
flat angles C4'-P-C4' energy: -94.743
flat angles P-C4'-P energy: -72.263
tors. eta vs tors. theta energy: -106.117
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: 7, replica: 1
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1056.466996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.466996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.466996 (E_RNA)
where:
Base-Base interactions energy: -682.581
where: short stacking energy: -303.049
Base-Backbone interact. energy: -1.822
local terms energy: -372.063084
where:
bonds (distance) C4'-P energy: -76.584
bonds (distance) P-C4' energy: -86.250
flat angles C4'-P-C4' energy: -98.853
flat angles P-C4'-P energy: -48.421
tors. eta vs tors. theta energy: -61.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1004.562841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.562841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.562841 (E_RNA)
where:
Base-Base interactions energy: -604.763
where: short stacking energy: -281.079
Base-Backbone interact. energy: -1.473
local terms energy: -398.326964
where:
bonds (distance) C4'-P energy: -98.203
bonds (distance) P-C4' energy: -103.000
flat angles C4'-P-C4' energy: -88.789
flat angles P-C4'-P energy: -63.123
tors. eta vs tors. theta energy: -45.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -874.039018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.039018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.039018 (E_RNA)
where:
Base-Base interactions energy: -532.344
where: short stacking energy: -276.845
Base-Backbone interact. energy: -0.224
local terms energy: -341.470866
where:
bonds (distance) C4'-P energy: -73.547
bonds (distance) P-C4' energy: -87.214
flat angles C4'-P-C4' energy: -80.998
flat angles P-C4'-P energy: -50.411
tors. eta vs tors. theta energy: -49.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -649.834182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.834182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.834182 (E_RNA)
where:
Base-Base interactions energy: -353.423
where: short stacking energy: -186.354
Base-Backbone interact. energy: 1.324
local terms energy: -297.735513
where:
bonds (distance) C4'-P energy: -73.921
bonds (distance) P-C4' energy: -98.605
flat angles C4'-P-C4' energy: -63.679
flat angles P-C4'-P energy: -48.613
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1744.995369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.995369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.995369 (E_RNA)
where:
Base-Base interactions energy: -1202.928
where: short stacking energy: -510.240
Base-Backbone interact. energy: -1.827
local terms energy: -540.241026
where:
bonds (distance) C4'-P energy: -97.072
bonds (distance) P-C4' energy: -95.357
flat angles C4'-P-C4' energy: -118.150
flat angles P-C4'-P energy: -78.108
tors. eta vs tors. theta energy: -151.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1660.681626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.681626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.681626 (E_RNA)
where:
Base-Base interactions energy: -1135.735
where: short stacking energy: -477.303
Base-Backbone interact. energy: 2.745
local terms energy: -527.691161
where:
bonds (distance) C4'-P energy: -96.274
bonds (distance) P-C4' energy: -95.595
flat angles C4'-P-C4' energy: -114.483
flat angles P-C4'-P energy: -76.245
tors. eta vs tors. theta energy: -145.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1530.327880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.327880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.327880 (E_RNA)
where:
Base-Base interactions energy: -1048.961
where: short stacking energy: -459.758
Base-Backbone interact. energy: -1.409
local terms energy: -479.957766
where:
bonds (distance) C4'-P energy: -86.463
bonds (distance) P-C4' energy: -92.035
flat angles C4'-P-C4' energy: -106.835
flat angles P-C4'-P energy: -69.109
tors. eta vs tors. theta energy: -125.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1488.236430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.236430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.236430 (E_RNA)
where:
Base-Base interactions energy: -974.098
where: short stacking energy: -420.612
Base-Backbone interact. energy: -2.454
local terms energy: -511.683715
where:
bonds (distance) C4'-P energy: -97.359
bonds (distance) P-C4' energy: -99.911
flat angles C4'-P-C4' energy: -109.879
flat angles P-C4'-P energy: -72.669
tors. eta vs tors. theta energy: -131.865
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: 9
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1314.804327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.804327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.804327 (E_RNA)
where:
Base-Base interactions energy: -833.210
where: short stacking energy: -382.982
Base-Backbone interact. energy: -1.933
local terms energy: -479.660748
where:
bonds (distance) C4'-P energy: -100.210
bonds (distance) P-C4' energy: -94.298
flat angles C4'-P-C4' energy: -107.542
flat angles P-C4'-P energy: -66.231
tors. eta vs tors. theta energy: -111.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1242.529304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.529304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.529304 (E_RNA)
where:
Base-Base interactions energy: -810.745
where: short stacking energy: -362.075
Base-Backbone interact. energy: -0.344
local terms energy: -431.440309
where:
bonds (distance) C4'-P energy: -86.800
bonds (distance) P-C4' energy: -89.173
flat angles C4'-P-C4' energy: -90.697
flat angles P-C4'-P energy: -59.133
tors. eta vs tors. theta energy: -105.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1044.912896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.912896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.912896 (E_RNA)
where:
Base-Base interactions energy: -644.588
where: short stacking energy: -302.200
Base-Backbone interact. energy: 1.816
local terms energy: -402.139967
where:
bonds (distance) C4'-P energy: -84.016
bonds (distance) P-C4' energy: -101.266
flat angles C4'-P-C4' energy: -91.418
flat angles P-C4'-P energy: -51.335
tors. eta vs tors. theta energy: -74.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1021.153721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.153721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.153721 (E_RNA)
where:
Base-Base interactions energy: -630.725
where: short stacking energy: -299.392
Base-Backbone interact. energy: -2.405
local terms energy: -388.023846
where:
bonds (distance) C4'-P energy: -88.047
bonds (distance) P-C4' energy: -89.162
flat angles C4'-P-C4' energy: -91.945
flat angles P-C4'-P energy: -58.108
tors. eta vs tors. theta energy: -60.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -807.461893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.461893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.461893 (E_RNA)
where:
Base-Base interactions energy: -475.927
where: short stacking energy: -237.305
Base-Backbone interact. energy: -3.569
local terms energy: -330.013456
where:
bonds (distance) C4'-P energy: -78.362
bonds (distance) P-C4' energy: -84.216
flat angles C4'-P-C4' energy: -90.972
flat angles P-C4'-P energy: -45.471
tors. eta vs tors. theta energy: -30.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.048 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -646.603949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.603949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.603949 (E_RNA)
where:
Base-Base interactions energy: -385.253
where: short stacking energy: -174.813
Base-Backbone interact. energy: -1.351
local terms energy: -260.000300
where:
bonds (distance) C4'-P energy: -74.224
bonds (distance) P-C4' energy: -78.274
flat angles C4'-P-C4' energy: -72.131
flat angles P-C4'-P energy: -31.369
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1776.624731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.624731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.624731 (E_RNA)
where:
Base-Base interactions energy: -1224.774
where: short stacking energy: -521.269
Base-Backbone interact. energy: -2.746
local terms energy: -549.104784
where:
bonds (distance) C4'-P energy: -98.586
bonds (distance) P-C4' energy: -106.289
flat angles C4'-P-C4' energy: -120.881
flat angles P-C4'-P energy: -76.045
tors. eta vs tors. theta energy: -147.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1666.514859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.514859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.514859 (E_RNA)
where:
Base-Base interactions energy: -1127.009
where: short stacking energy: -464.335
Base-Backbone interact. energy: -2.524
local terms energy: -536.981721
where:
bonds (distance) C4'-P energy: -93.866
bonds (distance) P-C4' energy: -113.501
flat angles C4'-P-C4' energy: -115.868
flat angles P-C4'-P energy: -73.949
tors. eta vs tors. theta energy: -139.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1518.411214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.411214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.411214 (E_RNA)
where:
Base-Base interactions energy: -1036.503
where: short stacking energy: -452.892
Base-Backbone interact. energy: -1.189
local terms energy: -480.719545
where:
bonds (distance) C4'-P energy: -85.325
bonds (distance) P-C4' energy: -83.187
flat angles C4'-P-C4' energy: -97.876
flat angles P-C4'-P energy: -73.005
tors. eta vs tors. theta energy: -141.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1488.877065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.877065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.877065 (E_RNA)
where:
Base-Base interactions energy: -1024.172
where: short stacking energy: -439.289
Base-Backbone interact. energy: -0.546
local terms energy: -464.158092
where:
bonds (distance) C4'-P energy: -88.186
bonds (distance) P-C4' energy: -96.799
flat angles C4'-P-C4' energy: -94.604
flat angles P-C4'-P energy: -66.187
tors. eta vs tors. theta energy: -118.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1332.899433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.899433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.899433 (E_RNA)
where:
Base-Base interactions energy: -893.910
where: short stacking energy: -383.114
Base-Backbone interact. energy: 0.478
local terms energy: -439.467062
where:
bonds (distance) C4'-P energy: -86.833
bonds (distance) P-C4' energy: -97.332
flat angles C4'-P-C4' energy: -103.858
flat angles P-C4'-P energy: -66.781
tors. eta vs tors. theta energy: -84.663
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: 6
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1192.543340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.543340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.543340 (E_RNA)
where:
Base-Base interactions energy: -762.817
where: short stacking energy: -343.828
Base-Backbone interact. energy: -1.579
local terms energy: -428.147295
where:
bonds (distance) C4'-P energy: -85.930
bonds (distance) P-C4' energy: -95.911
flat angles C4'-P-C4' energy: -95.556
flat angles P-C4'-P energy: -58.699
tors. eta vs tors. theta energy: -92.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1117.526846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.526846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.526846 (E_RNA)
where:
Base-Base interactions energy: -716.680
where: short stacking energy: -307.601
Base-Backbone interact. energy: -1.650
local terms energy: -399.196327
where:
bonds (distance) C4'-P energy: -91.881
bonds (distance) P-C4' energy: -92.938
flat angles C4'-P-C4' energy: -89.764
flat angles P-C4'-P energy: -65.503
tors. eta vs tors. theta energy: -59.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1027.962417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.962417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.962417 (E_RNA)
where:
Base-Base interactions energy: -665.031
where: short stacking energy: -312.860
Base-Backbone interact. energy: 0.416
local terms energy: -363.347089
where:
bonds (distance) C4'-P energy: -81.212
bonds (distance) P-C4' energy: -85.260
flat angles C4'-P-C4' energy: -80.366
flat angles P-C4'-P energy: -56.518
tors. eta vs tors. theta energy: -59.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -809.954625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.954625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.954625 (E_RNA)
where:
Base-Base interactions energy: -466.524
where: short stacking energy: -210.626
Base-Backbone interact. energy: -0.537
local terms energy: -342.893871
where:
bonds (distance) C4'-P energy: -72.263
bonds (distance) P-C4' energy: -87.804
flat angles C4'-P-C4' energy: -88.945
flat angles P-C4'-P energy: -55.801
tors. eta vs tors. theta energy: -38.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -740.638417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.638417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.638417 (E_RNA)
where:
Base-Base interactions energy: -410.448
where: short stacking energy: -196.876
Base-Backbone interact. energy: -1.635
local terms energy: -328.555432
where:
bonds (distance) C4'-P energy: -87.084
bonds (distance) P-C4' energy: -81.766
flat angles C4'-P-C4' energy: -74.651
flat angles P-C4'-P energy: -46.808
tors. eta vs tors. theta energy: -38.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1753.348615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.348615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.348615 (E_RNA)
where:
Base-Base interactions energy: -1200.856
where: short stacking energy: -519.793
Base-Backbone interact. energy: -2.225
local terms energy: -550.266624
where:
bonds (distance) C4'-P energy: -90.987
bonds (distance) P-C4' energy: -112.472
flat angles C4'-P-C4' energy: -120.213
flat angles P-C4'-P energy: -66.486
tors. eta vs tors. theta energy: -160.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1672.684108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.684108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.684108 (E_RNA)
where:
Base-Base interactions energy: -1167.595
where: short stacking energy: -485.006
Base-Backbone interact. energy: -0.962
local terms energy: -504.127069
where:
bonds (distance) C4'-P energy: -99.190
bonds (distance) P-C4' energy: -95.451
flat angles C4'-P-C4' energy: -110.114
flat angles P-C4'-P energy: -66.416
tors. eta vs tors. theta energy: -132.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1528.392435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.392435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.392435 (E_RNA)
where:
Base-Base interactions energy: -1045.775
where: short stacking energy: -458.312
Base-Backbone interact. energy: -1.131
local terms energy: -481.485805
where:
bonds (distance) C4'-P energy: -88.630
bonds (distance) P-C4' energy: -84.131
flat angles C4'-P-C4' energy: -96.193
flat angles P-C4'-P energy: -71.858
tors. eta vs tors. theta energy: -140.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1514.879282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.879282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.879282 (E_RNA)
where:
Base-Base interactions energy: -1018.863
where: short stacking energy: -415.358
Base-Backbone interact. energy: -0.360
local terms energy: -495.655530
where:
bonds (distance) C4'-P energy: -86.107
bonds (distance) P-C4' energy: -107.031
flat angles C4'-P-C4' energy: -109.429
flat angles P-C4'-P energy: -71.757
tors. eta vs tors. theta energy: -121.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1366.953637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.953637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.953637 (E_RNA)
where:
Base-Base interactions energy: -907.493
where: short stacking energy: -381.244
Base-Backbone interact. energy: -1.779
local terms energy: -457.681972
where:
bonds (distance) C4'-P energy: -97.310
bonds (distance) P-C4' energy: -102.282
flat angles C4'-P-C4' energy: -100.889
flat angles P-C4'-P energy: -65.219
tors. eta vs tors. theta energy: -91.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1150.638682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.638682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.638682 (E_RNA)
where:
Base-Base interactions energy: -752.467
where: short stacking energy: -328.224
Base-Backbone interact. energy: 1.872
local terms energy: -400.044598
where:
bonds (distance) C4'-P energy: -80.114
bonds (distance) P-C4' energy: -92.967
flat angles C4'-P-C4' energy: -79.883
flat angles P-C4'-P energy: -59.345
tors. eta vs tors. theta energy: -87.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1067.942512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.942512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.942512 (E_RNA)
where:
Base-Base interactions energy: -664.437
where: short stacking energy: -300.817
Base-Backbone interact. energy: -0.255
local terms energy: -403.250660
where:
bonds (distance) C4'-P energy: -79.852
bonds (distance) P-C4' energy: -96.461
flat angles C4'-P-C4' energy: -86.675
flat angles P-C4'-P energy: -70.306
tors. eta vs tors. theta energy: -69.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1005.649260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.649260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.649260 (E_RNA)
where:
Base-Base interactions energy: -618.897
where: short stacking energy: -276.192
Base-Backbone interact. energy: -1.830
local terms energy: -384.922012
where:
bonds (distance) C4'-P energy: -80.913
bonds (distance) P-C4' energy: -107.698
flat angles C4'-P-C4' energy: -99.204
flat angles P-C4'-P energy: -46.338
tors. eta vs tors. theta energy: -50.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -836.848954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.848954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.848954 (E_RNA)
where:
Base-Base interactions energy: -508.806
where: short stacking energy: -241.783
Base-Backbone interact. energy: 4.587
local terms energy: -332.630344
where:
bonds (distance) C4'-P energy: -85.601
bonds (distance) P-C4' energy: -85.825
flat angles C4'-P-C4' energy: -82.178
flat angles P-C4'-P energy: -40.532
tors. eta vs tors. theta energy: -38.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -711.142978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.142978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.142978 (E_RNA)
where:
Base-Base interactions energy: -425.218
where: short stacking energy: -207.171
Base-Backbone interact. energy: 0.738
local terms energy: -286.662936
where:
bonds (distance) C4'-P energy: -69.970
bonds (distance) P-C4' energy: -87.158
flat angles C4'-P-C4' energy: -67.848
flat angles P-C4'-P energy: -42.416
tors. eta vs tors. theta energy: -19.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1733.423096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.423096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.423096 (E_RNA)
where:
Base-Base interactions energy: -1174.289
where: short stacking energy: -520.969
Base-Backbone interact. energy: -4.794
local terms energy: -554.340463
where:
bonds (distance) C4'-P energy: -93.768
bonds (distance) P-C4' energy: -111.921
flat angles C4'-P-C4' energy: -128.069
flat angles P-C4'-P energy: -80.328
tors. eta vs tors. theta energy: -140.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1686.282326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.282326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.282326 (E_RNA)
where:
Base-Base interactions energy: -1157.126
where: short stacking energy: -483.131
Base-Backbone interact. energy: -2.388
local terms energy: -526.768090
where:
bonds (distance) C4'-P energy: -100.653
bonds (distance) P-C4' energy: -101.241
flat angles C4'-P-C4' energy: -107.087
flat angles P-C4'-P energy: -69.944
tors. eta vs tors. theta energy: -147.843
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: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1509.142371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.142371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.142371 (E_RNA)
where:
Base-Base interactions energy: -986.771
where: short stacking energy: -441.953
Base-Backbone interact. energy: -0.814
local terms energy: -521.558031
where:
bonds (distance) C4'-P energy: -92.660
bonds (distance) P-C4' energy: -103.237
flat angles C4'-P-C4' energy: -113.074
flat angles P-C4'-P energy: -72.611
tors. eta vs tors. theta energy: -139.976
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: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1511.726926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.726926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.726926 (E_RNA)
where:
Base-Base interactions energy: -1010.212
where: short stacking energy: -435.490
Base-Backbone interact. energy: -2.057
local terms energy: -499.457145
where:
bonds (distance) C4'-P energy: -95.206
bonds (distance) P-C4' energy: -94.362
flat angles C4'-P-C4' energy: -111.506
flat angles P-C4'-P energy: -65.490
tors. eta vs tors. theta energy: -132.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1317.893806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.893806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.893806 (E_RNA)
where:
Base-Base interactions energy: -875.828
where: short stacking energy: -390.321
Base-Backbone interact. energy: 5.186
local terms energy: -447.252139
where:
bonds (distance) C4'-P energy: -75.658
bonds (distance) P-C4' energy: -90.189
flat angles C4'-P-C4' energy: -109.011
flat angles P-C4'-P energy: -75.084
tors. eta vs tors. theta energy: -97.310
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: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1132.716557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.716557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.716557 (E_RNA)
where:
Base-Base interactions energy: -716.859
where: short stacking energy: -330.107
Base-Backbone interact. energy: 0.977
local terms energy: -416.834416
where:
bonds (distance) C4'-P energy: -80.619
bonds (distance) P-C4' energy: -108.726
flat angles C4'-P-C4' energy: -92.324
flat angles P-C4'-P energy: -57.847
tors. eta vs tors. theta energy: -77.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1085.830732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.830732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.830732 (E_RNA)
where:
Base-Base interactions energy: -697.815
where: short stacking energy: -330.631
Base-Backbone interact. energy: -0.966
local terms energy: -387.049154
where:
bonds (distance) C4'-P energy: -81.261
bonds (distance) P-C4' energy: -99.615
flat angles C4'-P-C4' energy: -65.157
flat angles P-C4'-P energy: -49.759
tors. eta vs tors. theta energy: -91.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1004.150526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.150526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.150526 (E_RNA)
where:
Base-Base interactions energy: -625.209
where: short stacking energy: -281.350
Base-Backbone interact. energy: -1.855
local terms energy: -377.087314
where:
bonds (distance) C4'-P energy: -74.676
bonds (distance) P-C4' energy: -93.840
flat angles C4'-P-C4' energy: -96.048
flat angles P-C4'-P energy: -59.392
tors. eta vs tors. theta energy: -53.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -839.509312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.509312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.509312 (E_RNA)
where:
Base-Base interactions energy: -497.181
where: short stacking energy: -229.546
Base-Backbone interact. energy: -0.814
local terms energy: -341.514078
where:
bonds (distance) C4'-P energy: -77.846
bonds (distance) P-C4' energy: -97.004
flat angles C4'-P-C4' energy: -71.996
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -47.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -747.481711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.481711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.481711 (E_RNA)
where:
Base-Base interactions energy: -430.537
where: short stacking energy: -192.024
Base-Backbone interact. energy: -0.993
local terms energy: -315.951482
where:
bonds (distance) C4'-P energy: -78.986
bonds (distance) P-C4' energy: -85.191
flat angles C4'-P-C4' energy: -75.955
flat angles P-C4'-P energy: -58.676
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1749.008734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.008734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.008734 (E_RNA)
where:
Base-Base interactions energy: -1185.056
where: short stacking energy: -520.066
Base-Backbone interact. energy: -1.290
local terms energy: -562.661914
where:
bonds (distance) C4'-P energy: -110.362
bonds (distance) P-C4' energy: -110.596
flat angles C4'-P-C4' energy: -124.424
flat angles P-C4'-P energy: -62.301
tors. eta vs tors. theta energy: -154.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1687.822474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.822474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.822474 (E_RNA)
where:
Base-Base interactions energy: -1145.659
where: short stacking energy: -482.816
Base-Backbone interact. energy: -1.518
local terms energy: -540.646144
where:
bonds (distance) C4'-P energy: -94.076
bonds (distance) P-C4' energy: -102.813
flat angles C4'-P-C4' energy: -114.287
flat angles P-C4'-P energy: -79.515
tors. eta vs tors. theta energy: -149.954
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: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1533.271931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.271931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.271931 (E_RNA)
where:
Base-Base interactions energy: -1031.147
where: short stacking energy: -464.501
Base-Backbone interact. energy: -1.455
local terms energy: -500.670422
where:
bonds (distance) C4'-P energy: -94.519
bonds (distance) P-C4' energy: -101.139
flat angles C4'-P-C4' energy: -105.438
flat angles P-C4'-P energy: -76.396
tors. eta vs tors. theta energy: -123.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1500.603037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.603037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.603037 (E_RNA)
where:
Base-Base interactions energy: -1015.065
where: short stacking energy: -447.499
Base-Backbone interact. energy: 1.240
local terms energy: -486.778634
where:
bonds (distance) C4'-P energy: -102.293
bonds (distance) P-C4' energy: -85.294
flat angles C4'-P-C4' energy: -98.656
flat angles P-C4'-P energy: -68.185
tors. eta vs tors. theta energy: -132.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1284.491099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.491099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.491099 (E_RNA)
where:
Base-Base interactions energy: -815.418
where: short stacking energy: -370.790
Base-Backbone interact. energy: -2.207
local terms energy: -466.866539
where:
bonds (distance) C4'-P energy: -97.402
bonds (distance) P-C4' energy: -102.748
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -55.751
tors. eta vs tors. theta energy: -106.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1125.783964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.783964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.783964 (E_RNA)
where:
Base-Base interactions energy: -688.321
where: short stacking energy: -326.268
Base-Backbone interact. energy: -0.380
local terms energy: -437.083034
where:
bonds (distance) C4'-P energy: -103.563
bonds (distance) P-C4' energy: -90.710
flat angles C4'-P-C4' energy: -97.312
flat angles P-C4'-P energy: -62.678
tors. eta vs tors. theta energy: -82.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1039.159279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.159279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.159279 (E_RNA)
where:
Base-Base interactions energy: -658.491
where: short stacking energy: -318.832
Base-Backbone interact. energy: -1.904
local terms energy: -378.763738
where:
bonds (distance) C4'-P energy: -76.968
bonds (distance) P-C4' energy: -96.005
flat angles C4'-P-C4' energy: -81.646
flat angles P-C4'-P energy: -55.778
tors. eta vs tors. theta energy: -68.368
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: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -941.875548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.875548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.875548 (E_RNA)
where:
Base-Base interactions energy: -587.978
where: short stacking energy: -251.232
Base-Backbone interact. energy: 3.694
local terms energy: -357.591182
where:
bonds (distance) C4'-P energy: -82.788
bonds (distance) P-C4' energy: -87.366
flat angles C4'-P-C4' energy: -80.950
flat angles P-C4'-P energy: -61.307
tors. eta vs tors. theta energy: -45.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -865.652356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.652356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.652356 (E_RNA)
where:
Base-Base interactions energy: -522.842
where: short stacking energy: -251.965
Base-Backbone interact. energy: -2.851
local terms energy: -339.958944
where:
bonds (distance) C4'-P energy: -80.440
bonds (distance) P-C4' energy: -95.893
flat angles C4'-P-C4' energy: -65.892
flat angles P-C4'-P energy: -50.299
tors. eta vs tors. theta energy: -47.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -736.758381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.758381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.758381 (E_RNA)
where:
Base-Base interactions energy: -425.890
where: short stacking energy: -212.367
Base-Backbone interact. energy: 0.175
local terms energy: -311.043873
where:
bonds (distance) C4'-P energy: -85.242
bonds (distance) P-C4' energy: -79.402
flat angles C4'-P-C4' energy: -85.130
flat angles P-C4'-P energy: -46.872
tors. eta vs tors. theta energy: -14.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1766.697603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.697603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.697603 (E_RNA)
where:
Base-Base interactions energy: -1196.610
where: short stacking energy: -531.726
Base-Backbone interact. energy: -1.469
local terms energy: -568.618585
where:
bonds (distance) C4'-P energy: -106.440
bonds (distance) P-C4' energy: -109.323
flat angles C4'-P-C4' energy: -115.280
flat angles P-C4'-P energy: -81.785
tors. eta vs tors. theta energy: -155.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1669.203024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.203024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.203024 (E_RNA)
where:
Base-Base interactions energy: -1132.092
where: short stacking energy: -513.781
Base-Backbone interact. energy: -1.323
local terms energy: -535.787916
where:
bonds (distance) C4'-P energy: -96.549
bonds (distance) P-C4' energy: -109.200
flat angles C4'-P-C4' energy: -112.579
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -141.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1524.416307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.416307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.416307 (E_RNA)
where:
Base-Base interactions energy: -1002.979
where: short stacking energy: -446.877
Base-Backbone interact. energy: -6.904
local terms energy: -514.533453
where:
bonds (distance) C4'-P energy: -95.890
bonds (distance) P-C4' energy: -93.604
flat angles C4'-P-C4' energy: -118.047
flat angles P-C4'-P energy: -75.489
tors. eta vs tors. theta energy: -131.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1475.967164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.967164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.967164 (E_RNA)
where:
Base-Base interactions energy: -998.410
where: short stacking energy: -438.765
Base-Backbone interact. energy: -0.954
local terms energy: -476.603389
where:
bonds (distance) C4'-P energy: -81.298
bonds (distance) P-C4' energy: -99.878
flat angles C4'-P-C4' energy: -104.694
flat angles P-C4'-P energy: -74.912
tors. eta vs tors. theta energy: -115.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1321.561629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.561629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.561629 (E_RNA)
where:
Base-Base interactions energy: -874.761
where: short stacking energy: -370.466
Base-Backbone interact. energy: -0.437
local terms energy: -446.363944
where:
bonds (distance) C4'-P energy: -84.566
bonds (distance) P-C4' energy: -87.157
flat angles C4'-P-C4' energy: -107.200
flat angles P-C4'-P energy: -59.063
tors. eta vs tors. theta energy: -108.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1129.896098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.896098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.896098 (E_RNA)
where:
Base-Base interactions energy: -717.832
where: short stacking energy: -331.586
Base-Backbone interact. energy: 2.777
local terms energy: -414.840658
where:
bonds (distance) C4'-P energy: -90.865
bonds (distance) P-C4' energy: -88.589
flat angles C4'-P-C4' energy: -99.437
flat angles P-C4'-P energy: -59.794
tors. eta vs tors. theta energy: -76.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1066.918755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.918755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.918755 (E_RNA)
where:
Base-Base interactions energy: -704.402
where: short stacking energy: -299.192
Base-Backbone interact. energy: 5.013
local terms energy: -367.529477
where:
bonds (distance) C4'-P energy: -66.870
bonds (distance) P-C4' energy: -99.068
flat angles C4'-P-C4' energy: -84.177
flat angles P-C4'-P energy: -59.724
tors. eta vs tors. theta energy: -57.690
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: 471
Temperature: 1.250000
Total energy: -996.854677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.854677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.854677 (E_RNA)
where:
Base-Base interactions energy: -634.760
where: short stacking energy: -278.812
Base-Backbone interact. energy: -1.819
local terms energy: -360.276095
where:
bonds (distance) C4'-P energy: -73.988
bonds (distance) P-C4' energy: -87.577
flat angles C4'-P-C4' energy: -77.587
flat angles P-C4'-P energy: -51.810
tors. eta vs tors. theta energy: -69.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -852.102779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.102779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.102779 (E_RNA)
where:
Base-Base interactions energy: -505.923
where: short stacking energy: -245.125
Base-Backbone interact. energy: 0.959
local terms energy: -347.138565
where:
bonds (distance) C4'-P energy: -80.922
bonds (distance) P-C4' energy: -100.052
flat angles C4'-P-C4' energy: -78.477
flat angles P-C4'-P energy: -58.802
tors. eta vs tors. theta energy: -28.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -559.852737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.852737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.852737 (E_RNA)
where:
Base-Base interactions energy: -287.127
where: short stacking energy: -150.642
Base-Backbone interact. energy: 1.373
local terms energy: -274.099459
where:
bonds (distance) C4'-P energy: -76.624
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -80.487
flat angles P-C4'-P energy: -38.464
tors. eta vs tors. theta energy: 5.204
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: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1723.581630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.581630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.581630 (E_RNA)
where:
Base-Base interactions energy: -1183.668
where: short stacking energy: -523.628
Base-Backbone interact. energy: -1.054
local terms energy: -538.859853
where:
bonds (distance) C4'-P energy: -95.708
bonds (distance) P-C4' energy: -95.621
flat angles C4'-P-C4' energy: -116.045
flat angles P-C4'-P energy: -69.381
tors. eta vs tors. theta energy: -162.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1669.708061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.708061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.708061 (E_RNA)
where:
Base-Base interactions energy: -1153.710
where: short stacking energy: -482.636
Base-Backbone interact. energy: -3.137
local terms energy: -512.860814
where:
bonds (distance) C4'-P energy: -94.734
bonds (distance) P-C4' energy: -96.853
flat angles C4'-P-C4' energy: -106.992
flat angles P-C4'-P energy: -68.670
tors. eta vs tors. theta energy: -145.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1505.553693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.553693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.553693 (E_RNA)
where:
Base-Base interactions energy: -1020.799
where: short stacking energy: -424.121
Base-Backbone interact. energy: -1.177
local terms energy: -483.577078
where:
bonds (distance) C4'-P energy: -97.794
bonds (distance) P-C4' energy: -101.053
flat angles C4'-P-C4' energy: -116.285
flat angles P-C4'-P energy: -56.263
tors. eta vs tors. theta energy: -112.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1490.748429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.748429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.748429 (E_RNA)
where:
Base-Base interactions energy: -1000.329
where: short stacking energy: -437.647
Base-Backbone interact. energy: -2.940
local terms energy: -487.479082
where:
bonds (distance) C4'-P energy: -93.480
bonds (distance) P-C4' energy: -99.901
flat angles C4'-P-C4' energy: -97.393
flat angles P-C4'-P energy: -75.829
tors. eta vs tors. theta energy: -120.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1323.821198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.821198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.821198 (E_RNA)
where:
Base-Base interactions energy: -839.694
where: short stacking energy: -372.521
Base-Backbone interact. energy: -1.306
local terms energy: -482.821078
where:
bonds (distance) C4'-P energy: -102.295
bonds (distance) P-C4' energy: -100.489
flat angles C4'-P-C4' energy: -104.545
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -103.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1134.829374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.829374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.829374 (E_RNA)
where:
Base-Base interactions energy: -717.704
where: short stacking energy: -331.667
Base-Backbone interact. energy: -0.257
local terms energy: -416.868065
where:
bonds (distance) C4'-P energy: -86.117
bonds (distance) P-C4' energy: -86.394
flat angles C4'-P-C4' energy: -97.562
flat angles P-C4'-P energy: -72.955
tors. eta vs tors. theta energy: -73.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1090.968036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.968036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.968036 (E_RNA)
where:
Base-Base interactions energy: -675.195
where: short stacking energy: -310.126
Base-Backbone interact. energy: -1.732
local terms energy: -414.041400
where:
bonds (distance) C4'-P energy: -86.217
bonds (distance) P-C4' energy: -98.476
flat angles C4'-P-C4' energy: -98.633
flat angles P-C4'-P energy: -66.004
tors. eta vs tors. theta energy: -64.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1018.062146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.062146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.062146 (E_RNA)
where:
Base-Base interactions energy: -651.641
where: short stacking energy: -306.670
Base-Backbone interact. energy: -2.014
local terms energy: -364.407050
where:
bonds (distance) C4'-P energy: -79.620
bonds (distance) P-C4' energy: -86.847
flat angles C4'-P-C4' energy: -91.033
flat angles P-C4'-P energy: -45.470
tors. eta vs tors. theta energy: -61.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -803.737207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.737207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.737207 (E_RNA)
where:
Base-Base interactions energy: -531.881
where: short stacking energy: -235.155
Base-Backbone interact. energy: 0.335
local terms energy: -272.190599
where:
bonds (distance) C4'-P energy: -71.149
bonds (distance) P-C4' energy: -69.577
flat angles C4'-P-C4' energy: -71.556
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -610.127552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.127552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.127552 (E_RNA)
where:
Base-Base interactions energy: -300.400
where: short stacking energy: -172.124
Base-Backbone interact. energy: -0.924
local terms energy: -308.803407
where:
bonds (distance) C4'-P energy: -90.051
bonds (distance) P-C4' energy: -79.352
flat angles C4'-P-C4' energy: -78.821
flat angles P-C4'-P energy: -45.627
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1748.142053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.142053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.142053 (E_RNA)
where:
Base-Base interactions energy: -1183.556
where: short stacking energy: -534.804
Base-Backbone interact. energy: -2.327
local terms energy: -562.259160
where:
bonds (distance) C4'-P energy: -98.324
bonds (distance) P-C4' energy: -104.375
flat angles C4'-P-C4' energy: -118.708
flat angles P-C4'-P energy: -85.233
tors. eta vs tors. theta energy: -155.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1670.142350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.142350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.142350 (E_RNA)
where:
Base-Base interactions energy: -1150.192
where: short stacking energy: -485.959
Base-Backbone interact. energy: -1.435
local terms energy: -518.515393
where:
bonds (distance) C4'-P energy: -100.722
bonds (distance) P-C4' energy: -107.514
flat angles C4'-P-C4' energy: -101.513
flat angles P-C4'-P energy: -67.276
tors. eta vs tors. theta energy: -141.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1550.941621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.941621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.941621 (E_RNA)
where:
Base-Base interactions energy: -1036.694
where: short stacking energy: -447.284
Base-Backbone interact. energy: -0.486
local terms energy: -513.761597
where:
bonds (distance) C4'-P energy: -103.951
bonds (distance) P-C4' energy: -99.759
flat angles C4'-P-C4' energy: -106.159
flat angles P-C4'-P energy: -71.215
tors. eta vs tors. theta energy: -132.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1494.276456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.276456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.276456 (E_RNA)
where:
Base-Base interactions energy: -982.565
where: short stacking energy: -436.044
Base-Backbone interact. energy: -0.240
local terms energy: -511.471188
where:
bonds (distance) C4'-P energy: -97.645
bonds (distance) P-C4' energy: -103.249
flat angles C4'-P-C4' energy: -111.163
flat angles P-C4'-P energy: -72.835
tors. eta vs tors. theta energy: -126.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1329.649613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.649613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.649613 (E_RNA)
where:
Base-Base interactions energy: -877.682
where: short stacking energy: -374.668
Base-Backbone interact. energy: -0.732
local terms energy: -451.235408
where:
bonds (distance) C4'-P energy: -97.313
bonds (distance) P-C4' energy: -89.899
flat angles C4'-P-C4' energy: -93.578
flat angles P-C4'-P energy: -72.564
tors. eta vs tors. theta energy: -97.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1153.192057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.192057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.192057 (E_RNA)
where:
Base-Base interactions energy: -733.800
where: short stacking energy: -310.421
Base-Backbone interact. energy: -1.702
local terms energy: -417.690217
where:
bonds (distance) C4'-P energy: -75.697
bonds (distance) P-C4' energy: -105.924
flat angles C4'-P-C4' energy: -102.711
flat angles P-C4'-P energy: -64.866
tors. eta vs tors. theta energy: -68.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1087.485734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.485734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.485734 (E_RNA)
where:
Base-Base interactions energy: -691.771
where: short stacking energy: -333.946
Base-Backbone interact. energy: -1.983
local terms energy: -393.731276
where:
bonds (distance) C4'-P energy: -92.432
bonds (distance) P-C4' energy: -77.125
flat angles C4'-P-C4' energy: -88.070
flat angles P-C4'-P energy: -64.255
tors. eta vs tors. theta energy: -71.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1057.090901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.090901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.090901 (E_RNA)
where:
Base-Base interactions energy: -678.030
where: short stacking energy: -317.736
Base-Backbone interact. energy: 1.465
local terms energy: -380.525828
where:
bonds (distance) C4'-P energy: -81.357
bonds (distance) P-C4' energy: -89.641
flat angles C4'-P-C4' energy: -94.084
flat angles P-C4'-P energy: -57.781
tors. eta vs tors. theta energy: -57.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -840.950643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.950643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.950643 (E_RNA)
where:
Base-Base interactions energy: -515.035
where: short stacking energy: -223.350
Base-Backbone interact. energy: 0.977
local terms energy: -326.892721
where:
bonds (distance) C4'-P energy: -88.451
bonds (distance) P-C4' energy: -89.643
flat angles C4'-P-C4' energy: -74.356
flat angles P-C4'-P energy: -43.916
tors. eta vs tors. theta energy: -30.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -600.154552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.154552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.154552 (E_RNA)
where:
Base-Base interactions energy: -309.768
where: short stacking energy: -173.260
Base-Backbone interact. energy: -0.741
local terms energy: -289.645778
where:
bonds (distance) C4'-P energy: -86.699
bonds (distance) P-C4' energy: -83.311
flat angles C4'-P-C4' energy: -67.020
flat angles P-C4'-P energy: -57.502
tors. eta vs tors. theta energy: 4.887
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: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1757.268042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.268042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.268042 (E_RNA)
where:
Base-Base interactions energy: -1196.601
where: short stacking energy: -527.129
Base-Backbone interact. energy: -2.508
local terms energy: -558.158232
where:
bonds (distance) C4'-P energy: -98.809
bonds (distance) P-C4' energy: -98.037
flat angles C4'-P-C4' energy: -124.429
flat angles P-C4'-P energy: -78.732
tors. eta vs tors. theta energy: -158.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1689.381283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.381283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.381283 (E_RNA)
where:
Base-Base interactions energy: -1179.860
where: short stacking energy: -488.754
Base-Backbone interact. energy: -0.428
local terms energy: -509.093625
where:
bonds (distance) C4'-P energy: -82.183
bonds (distance) P-C4' energy: -95.116
flat angles C4'-P-C4' energy: -109.842
flat angles P-C4'-P energy: -77.644
tors. eta vs tors. theta energy: -144.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1568.032204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.032204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.032204 (E_RNA)
where:
Base-Base interactions energy: -1073.560
where: short stacking energy: -455.429
Base-Backbone interact. energy: -0.917
local terms energy: -493.555113
where:
bonds (distance) C4'-P energy: -93.786
bonds (distance) P-C4' energy: -85.407
flat angles C4'-P-C4' energy: -112.753
flat angles P-C4'-P energy: -71.075
tors. eta vs tors. theta energy: -130.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1493.920786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.920786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.920786 (E_RNA)
where:
Base-Base interactions energy: -986.888
where: short stacking energy: -439.027
Base-Backbone interact. energy: -2.059
local terms energy: -504.973833
where:
bonds (distance) C4'-P energy: -87.936
bonds (distance) P-C4' energy: -95.514
flat angles C4'-P-C4' energy: -108.623
flat angles P-C4'-P energy: -73.636
tors. eta vs tors. theta energy: -139.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1304.935114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.935114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.935114 (E_RNA)
where:
Base-Base interactions energy: -841.629
where: short stacking energy: -367.506
Base-Backbone interact. energy: -1.991
local terms energy: -461.315504
where:
bonds (distance) C4'-P energy: -80.892
bonds (distance) P-C4' energy: -105.374
flat angles C4'-P-C4' energy: -114.930
flat angles P-C4'-P energy: -64.924
tors. eta vs tors. theta energy: -95.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1168.780781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.780781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.780781 (E_RNA)
where:
Base-Base interactions energy: -753.471
where: short stacking energy: -354.178
Base-Backbone interact. energy: -2.080
local terms energy: -413.229591
where:
bonds (distance) C4'-P energy: -91.355
bonds (distance) P-C4' energy: -73.271
flat angles C4'-P-C4' energy: -84.809
flat angles P-C4'-P energy: -70.794
tors. eta vs tors. theta energy: -93.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1098.849748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.849748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.849748 (E_RNA)
where:
Base-Base interactions energy: -689.921
where: short stacking energy: -312.371
Base-Backbone interact. energy: -0.888
local terms energy: -408.040971
where:
bonds (distance) C4'-P energy: -88.830
bonds (distance) P-C4' energy: -97.293
flat angles C4'-P-C4' energy: -96.059
flat angles P-C4'-P energy: -55.284
tors. eta vs tors. theta energy: -70.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1033.666511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.666511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.666511 (E_RNA)
where:
Base-Base interactions energy: -667.551
where: short stacking energy: -291.252
Base-Backbone interact. energy: -1.461
local terms energy: -364.653689
where:
bonds (distance) C4'-P energy: -75.875
bonds (distance) P-C4' energy: -82.124
flat angles C4'-P-C4' energy: -78.857
flat angles P-C4'-P energy: -57.305
tors. eta vs tors. theta energy: -70.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -842.477931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.477931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.477931 (E_RNA)
where:
Base-Base interactions energy: -515.950
where: short stacking energy: -220.686
Base-Backbone interact. energy: 0.300
local terms energy: -326.828400
where:
bonds (distance) C4'-P energy: -75.601
bonds (distance) P-C4' energy: -88.641
flat angles C4'-P-C4' energy: -97.180
flat angles P-C4'-P energy: -40.275
tors. eta vs tors. theta energy: -25.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -602.592162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.592162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.592162 (E_RNA)
where:
Base-Base interactions energy: -327.775
where: short stacking energy: -174.581
Base-Backbone interact. energy: 5.317
local terms energy: -280.134199
where:
bonds (distance) C4'-P energy: -84.997
bonds (distance) P-C4' energy: -90.878
flat angles C4'-P-C4' energy: -72.872
flat angles P-C4'-P energy: -38.928
tors. eta vs tors. theta energy: 7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1748.611172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.611172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.611172 (E_RNA)
where:
Base-Base interactions energy: -1209.821
where: short stacking energy: -523.501
Base-Backbone interact. energy: -2.406
local terms energy: -536.383535
where:
bonds (distance) C4'-P energy: -102.006
bonds (distance) P-C4' energy: -93.333
flat angles C4'-P-C4' energy: -103.082
flat angles P-C4'-P energy: -82.088
tors. eta vs tors. theta energy: -155.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1673.669567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.669567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.669567 (E_RNA)
where:
Base-Base interactions energy: -1149.622
where: short stacking energy: -477.500
Base-Backbone interact. energy: 1.599
local terms energy: -525.647374
where:
bonds (distance) C4'-P energy: -95.459
bonds (distance) P-C4' energy: -96.077
flat angles C4'-P-C4' energy: -107.944
flat angles P-C4'-P energy: -84.104
tors. eta vs tors. theta energy: -142.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1573.690854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.690854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.690854 (E_RNA)
where:
Base-Base interactions energy: -1066.176
where: short stacking energy: -466.522
Base-Backbone interact. energy: -0.677
local terms energy: -506.837044
where:
bonds (distance) C4'-P energy: -87.589
bonds (distance) P-C4' energy: -102.986
flat angles C4'-P-C4' energy: -98.566
flat angles P-C4'-P energy: -81.355
tors. eta vs tors. theta energy: -136.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1493.048111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.048111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.048111 (E_RNA)
where:
Base-Base interactions energy: -998.238
where: short stacking energy: -461.659
Base-Backbone interact. energy: -0.455
local terms energy: -494.355117
where:
bonds (distance) C4'-P energy: -93.946
bonds (distance) P-C4' energy: -98.091
flat angles C4'-P-C4' energy: -104.203
flat angles P-C4'-P energy: -73.462
tors. eta vs tors. theta energy: -124.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1375.203819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.203819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.203819 (E_RNA)
where:
Base-Base interactions energy: -908.498
where: short stacking energy: -376.106
Base-Backbone interact. energy: 0.496
local terms energy: -467.201789
where:
bonds (distance) C4'-P energy: -101.878
bonds (distance) P-C4' energy: -105.188
flat angles C4'-P-C4' energy: -103.331
flat angles P-C4'-P energy: -58.015
tors. eta vs tors. theta energy: -98.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1201.408992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.408992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.408992 (E_RNA)
where:
Base-Base interactions energy: -771.399
where: short stacking energy: -352.859
Base-Backbone interact. energy: 0.625
local terms energy: -430.634225
where:
bonds (distance) C4'-P energy: -92.173
bonds (distance) P-C4' energy: -81.807
flat angles C4'-P-C4' energy: -87.264
flat angles P-C4'-P energy: -71.297
tors. eta vs tors. theta energy: -98.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1073.663952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.663952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.663952 (E_RNA)
where:
Base-Base interactions energy: -712.498
where: short stacking energy: -323.207
Base-Backbone interact. energy: -1.266
local terms energy: -359.900037
where:
bonds (distance) C4'-P energy: -65.694
bonds (distance) P-C4' energy: -87.654
flat angles C4'-P-C4' energy: -87.970
flat angles P-C4'-P energy: -46.427
tors. eta vs tors. theta energy: -72.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -934.996861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.996861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.996861 (E_RNA)
where:
Base-Base interactions energy: -566.663
where: short stacking energy: -275.339
Base-Backbone interact. energy: 1.556
local terms energy: -369.889767
where:
bonds (distance) C4'-P energy: -89.005
bonds (distance) P-C4' energy: -91.117
flat angles C4'-P-C4' energy: -80.972
flat angles P-C4'-P energy: -51.311
tors. eta vs tors. theta energy: -57.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -877.407148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.407148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.407148 (E_RNA)
where:
Base-Base interactions energy: -535.583
where: short stacking energy: -236.104
Base-Backbone interact. energy: 2.566
local terms energy: -344.390306
where:
bonds (distance) C4'-P energy: -84.298
bonds (distance) P-C4' energy: -75.545
flat angles C4'-P-C4' energy: -81.837
flat angles P-C4'-P energy: -61.747
tors. eta vs tors. theta energy: -40.964
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: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -613.491582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.491582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.491582 (E_RNA)
where:
Base-Base interactions energy: -315.841
where: short stacking energy: -173.545
Base-Backbone interact. energy: 0.237
local terms energy: -297.888101
where:
bonds (distance) C4'-P energy: -90.810
bonds (distance) P-C4' energy: -91.151
flat angles C4'-P-C4' energy: -50.168
flat angles P-C4'-P energy: -49.034
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1735.765798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.765798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.765798 (E_RNA)
where:
Base-Base interactions energy: -1182.364
where: short stacking energy: -505.331
Base-Backbone interact. energy: -2.462
local terms energy: -550.939801
where:
bonds (distance) C4'-P energy: -109.639
bonds (distance) P-C4' energy: -102.320
flat angles C4'-P-C4' energy: -111.503
flat angles P-C4'-P energy: -83.830
tors. eta vs tors. theta energy: -143.648
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: 2, replica: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1700.230958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.230958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.230958 (E_RNA)
where:
Base-Base interactions energy: -1178.462
where: short stacking energy: -476.265
Base-Backbone interact. energy: -1.362
local terms energy: -520.406915
where:
bonds (distance) C4'-P energy: -99.051
bonds (distance) P-C4' energy: -99.907
flat angles C4'-P-C4' energy: -118.062
flat angles P-C4'-P energy: -67.587
tors. eta vs tors. theta energy: -135.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1587.755608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.755608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.755608 (E_RNA)
where:
Base-Base interactions energy: -1086.927
where: short stacking energy: -464.359
Base-Backbone interact. energy: -1.406
local terms energy: -499.422117
where:
bonds (distance) C4'-P energy: -82.795
bonds (distance) P-C4' energy: -104.539
flat angles C4'-P-C4' energy: -105.878
flat angles P-C4'-P energy: -83.370
tors. eta vs tors. theta energy: -122.840
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: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1522.080159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.080159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.080159 (E_RNA)
where:
Base-Base interactions energy: -1037.040
where: short stacking energy: -440.363
Base-Backbone interact. energy: -2.327
local terms energy: -482.713478
where:
bonds (distance) C4'-P energy: -91.276
bonds (distance) P-C4' energy: -81.908
flat angles C4'-P-C4' energy: -110.315
flat angles P-C4'-P energy: -69.335
tors. eta vs tors. theta energy: -129.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1305.500920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.500920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.500920 (E_RNA)
where:
Base-Base interactions energy: -863.514
where: short stacking energy: -376.508
Base-Backbone interact. energy: -1.708
local terms energy: -440.279063
where:
bonds (distance) C4'-P energy: -89.825
bonds (distance) P-C4' energy: -101.355
flat angles C4'-P-C4' energy: -102.156
flat angles P-C4'-P energy: -62.081
tors. eta vs tors. theta energy: -84.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1200.674187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.674187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.674187 (E_RNA)
where:
Base-Base interactions energy: -790.057
where: short stacking energy: -354.467
Base-Backbone interact. energy: -2.557
local terms energy: -408.060342
where:
bonds (distance) C4'-P energy: -90.230
bonds (distance) P-C4' energy: -73.067
flat angles C4'-P-C4' energy: -88.760
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -84.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1094.411956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.411956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.411956 (E_RNA)
where:
Base-Base interactions energy: -709.889
where: short stacking energy: -314.970
Base-Backbone interact. energy: -1.602
local terms energy: -382.921126
where:
bonds (distance) C4'-P energy: -87.512
bonds (distance) P-C4' energy: -93.057
flat angles C4'-P-C4' energy: -80.411
flat angles P-C4'-P energy: -52.734
tors. eta vs tors. theta energy: -69.207
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: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -921.529054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.529054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.529054 (E_RNA)
where:
Base-Base interactions energy: -561.189
where: short stacking energy: -258.949
Base-Backbone interact. energy: -1.768
local terms energy: -358.572290
where:
bonds (distance) C4'-P energy: -86.623
bonds (distance) P-C4' energy: -75.140
flat angles C4'-P-C4' energy: -94.979
flat angles P-C4'-P energy: -61.676
tors. eta vs tors. theta energy: -40.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -843.795373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.795373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.795373 (E_RNA)
where:
Base-Base interactions energy: -512.254
where: short stacking energy: -226.954
Base-Backbone interact. energy: 1.039
local terms energy: -332.580956
where:
bonds (distance) C4'-P energy: -92.524
bonds (distance) P-C4' energy: -89.685
flat angles C4'-P-C4' energy: -74.795
flat angles P-C4'-P energy: -39.376
tors. eta vs tors. theta energy: -36.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -595.191552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.191552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.191552 (E_RNA)
where:
Base-Base interactions energy: -330.724
where: short stacking energy: -181.395
Base-Backbone interact. energy: 2.357
local terms energy: -266.825303
where:
bonds (distance) C4'-P energy: -77.220
bonds (distance) P-C4' energy: -85.054
flat angles C4'-P-C4' energy: -71.642
flat angles P-C4'-P energy: -39.383
tors. eta vs tors. theta energy: 6.474
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: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1736.215952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.215952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.215952 (E_RNA)
where:
Base-Base interactions energy: -1184.177
where: short stacking energy: -509.467
Base-Backbone interact. energy: -1.804
local terms energy: -550.235087
where:
bonds (distance) C4'-P energy: -94.128
bonds (distance) P-C4' energy: -101.609
flat angles C4'-P-C4' energy: -112.913
flat angles P-C4'-P energy: -85.574
tors. eta vs tors. theta energy: -156.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1692.609747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.609747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.609747 (E_RNA)
where:
Base-Base interactions energy: -1168.179
where: short stacking energy: -480.973
Base-Backbone interact. energy: 3.644
local terms energy: -528.074626
where:
bonds (distance) C4'-P energy: -102.918
bonds (distance) P-C4' energy: -104.516
flat angles C4'-P-C4' energy: -108.140
flat angles P-C4'-P energy: -83.066
tors. eta vs tors. theta energy: -129.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1602.850906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.850906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.850906 (E_RNA)
where:
Base-Base interactions energy: -1092.126
where: short stacking energy: -484.900
Base-Backbone interact. energy: 0.734
local terms energy: -511.458789
where:
bonds (distance) C4'-P energy: -100.216
bonds (distance) P-C4' energy: -97.703
flat angles C4'-P-C4' energy: -105.750
flat angles P-C4'-P energy: -74.980
tors. eta vs tors. theta energy: -132.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1504.689471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.689471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.689471 (E_RNA)
where:
Base-Base interactions energy: -1002.805
where: short stacking energy: -422.809
Base-Backbone interact. energy: -1.003
local terms energy: -500.881799
where:
bonds (distance) C4'-P energy: -98.249
bonds (distance) P-C4' energy: -91.186
flat angles C4'-P-C4' energy: -114.978
flat angles P-C4'-P energy: -69.804
tors. eta vs tors. theta energy: -126.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1355.779594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.779594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.779594 (E_RNA)
where:
Base-Base interactions energy: -897.836
where: short stacking energy: -395.128
Base-Backbone interact. energy: -0.115
local terms energy: -457.828425
where:
bonds (distance) C4'-P energy: -86.330
bonds (distance) P-C4' energy: -87.153
flat angles C4'-P-C4' energy: -104.563
flat angles P-C4'-P energy: -80.564
tors. eta vs tors. theta energy: -99.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1264.212824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.212824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.212824 (E_RNA)
where:
Base-Base interactions energy: -836.992
where: short stacking energy: -346.159
Base-Backbone interact. energy: -0.249
local terms energy: -426.971847
where:
bonds (distance) C4'-P energy: -78.062
bonds (distance) P-C4' energy: -75.290
flat angles C4'-P-C4' energy: -117.620
flat angles P-C4'-P energy: -61.857
tors. eta vs tors. theta energy: -94.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1063.109161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.109161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.109161 (E_RNA)
where:
Base-Base interactions energy: -678.303
where: short stacking energy: -306.334
Base-Backbone interact. energy: -3.248
local terms energy: -381.557667
where:
bonds (distance) C4'-P energy: -70.828
bonds (distance) P-C4' energy: -105.310
flat angles C4'-P-C4' energy: -83.761
flat angles P-C4'-P energy: -59.933
tors. eta vs tors. theta energy: -61.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -922.884116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.884116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.884116 (E_RNA)
where:
Base-Base interactions energy: -595.312
where: short stacking energy: -276.542
Base-Backbone interact. energy: -0.048
local terms energy: -327.524546
where:
bonds (distance) C4'-P energy: -82.579
bonds (distance) P-C4' energy: -76.688
flat angles C4'-P-C4' energy: -78.628
flat angles P-C4'-P energy: -52.425
tors. eta vs tors. theta energy: -37.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -803.785132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.785132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.785132 (E_RNA)
where:
Base-Base interactions energy: -454.899
where: short stacking energy: -220.257
Base-Backbone interact. energy: -1.719
local terms energy: -347.167610
where:
bonds (distance) C4'-P energy: -99.067
bonds (distance) P-C4' energy: -73.534
flat angles C4'-P-C4' energy: -74.134
flat angles P-C4'-P energy: -51.650
tors. eta vs tors. theta energy: -48.784
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: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -657.722892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.722892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.722892 (E_RNA)
where:
Base-Base interactions energy: -367.272
where: short stacking energy: -156.882
Base-Backbone interact. energy: 4.488
local terms energy: -294.939155
where:
bonds (distance) C4'-P energy: -86.851
bonds (distance) P-C4' energy: -91.002
flat angles C4'-P-C4' energy: -64.604
flat angles P-C4'-P energy: -54.235
tors. eta vs tors. theta energy: 1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1750.712528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.712528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.712528 (E_RNA)
where:
Base-Base interactions energy: -1218.906
where: short stacking energy: -522.371
Base-Backbone interact. energy: 0.293
local terms energy: -532.099773
where:
bonds (distance) C4'-P energy: -97.872
bonds (distance) P-C4' energy: -95.053
flat angles C4'-P-C4' energy: -114.908
flat angles P-C4'-P energy: -66.761
tors. eta vs tors. theta energy: -157.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1665.942679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.942679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.942679 (E_RNA)
where:
Base-Base interactions energy: -1143.848
where: short stacking energy: -465.004
Base-Backbone interact. energy: -0.068
local terms energy: -522.027033
where:
bonds (distance) C4'-P energy: -110.350
bonds (distance) P-C4' energy: -110.046
flat angles C4'-P-C4' energy: -107.173
flat angles P-C4'-P energy: -59.437
tors. eta vs tors. theta energy: -135.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1629.615858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.615858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.615858 (E_RNA)
where:
Base-Base interactions energy: -1115.913
where: short stacking energy: -494.380
Base-Backbone interact. energy: -3.222
local terms energy: -510.481171
where:
bonds (distance) C4'-P energy: -85.109
bonds (distance) P-C4' energy: -96.281
flat angles C4'-P-C4' energy: -107.839
flat angles P-C4'-P energy: -77.731
tors. eta vs tors. theta energy: -143.522
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: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1490.309291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.309291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.309291 (E_RNA)
where:
Base-Base interactions energy: -1001.154
where: short stacking energy: -429.895
Base-Backbone interact. energy: -0.496
local terms energy: -488.658727
where:
bonds (distance) C4'-P energy: -93.754
bonds (distance) P-C4' energy: -91.489
flat angles C4'-P-C4' energy: -103.328
flat angles P-C4'-P energy: -72.364
tors. eta vs tors. theta energy: -127.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1378.751366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.751366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.751366 (E_RNA)
where:
Base-Base interactions energy: -937.260
where: short stacking energy: -399.262
Base-Backbone interact. energy: -2.195
local terms energy: -439.296374
where:
bonds (distance) C4'-P energy: -87.881
bonds (distance) P-C4' energy: -100.426
flat angles C4'-P-C4' energy: -89.009
flat angles P-C4'-P energy: -56.841
tors. eta vs tors. theta energy: -105.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1297.971599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.971599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.971599 (E_RNA)
where:
Base-Base interactions energy: -854.420
where: short stacking energy: -381.770
Base-Backbone interact. energy: -2.489
local terms energy: -441.062752
where:
bonds (distance) C4'-P energy: -96.134
bonds (distance) P-C4' energy: -100.667
flat angles C4'-P-C4' energy: -84.287
flat angles P-C4'-P energy: -51.620
tors. eta vs tors. theta energy: -108.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1112.356792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.356792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.356792 (E_RNA)
where:
Base-Base interactions energy: -715.770
where: short stacking energy: -340.872
Base-Backbone interact. energy: -1.275
local terms energy: -395.312314
where:
bonds (distance) C4'-P energy: -90.342
bonds (distance) P-C4' energy: -89.496
flat angles C4'-P-C4' energy: -87.853
flat angles P-C4'-P energy: -50.648
tors. eta vs tors. theta energy: -76.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -905.956572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.956572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.956572 (E_RNA)
where:
Base-Base interactions energy: -554.211
where: short stacking energy: -262.750
Base-Backbone interact. energy: -2.431
local terms energy: -349.314228
where:
bonds (distance) C4'-P energy: -77.942
bonds (distance) P-C4' energy: -93.819
flat angles C4'-P-C4' energy: -76.273
flat angles P-C4'-P energy: -56.186
tors. eta vs tors. theta energy: -45.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -865.348841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.348841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.348841 (E_RNA)
where:
Base-Base interactions energy: -519.951
where: short stacking energy: -251.035
Base-Backbone interact. energy: 1.716
local terms energy: -347.114087
where:
bonds (distance) C4'-P energy: -80.338
bonds (distance) P-C4' energy: -89.768
flat angles C4'-P-C4' energy: -91.039
flat angles P-C4'-P energy: -53.744
tors. eta vs tors. theta energy: -32.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -618.532080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.532080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.532080 (E_RNA)
where:
Base-Base interactions energy: -326.734
where: short stacking energy: -168.733
Base-Backbone interact. energy: -1.337
local terms energy: -290.461324
where:
bonds (distance) C4'-P energy: -79.389
bonds (distance) P-C4' energy: -91.192
flat angles C4'-P-C4' energy: -76.470
flat angles P-C4'-P energy: -40.964
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1762.299185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.299185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.299185 (E_RNA)
where:
Base-Base interactions energy: -1238.630
where: short stacking energy: -523.002
Base-Backbone interact. energy: -2.777
local terms energy: -520.891401
where:
bonds (distance) C4'-P energy: -94.758
bonds (distance) P-C4' energy: -93.073
flat angles C4'-P-C4' energy: -109.860
flat angles P-C4'-P energy: -73.090
tors. eta vs tors. theta energy: -150.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1655.048984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.048984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.048984 (E_RNA)
where:
Base-Base interactions energy: -1114.162
where: short stacking energy: -479.858
Base-Backbone interact. energy: -2.968
local terms energy: -537.919004
where:
bonds (distance) C4'-P energy: -108.877
bonds (distance) P-C4' energy: -107.900
flat angles C4'-P-C4' energy: -106.406
flat angles P-C4'-P energy: -76.537
tors. eta vs tors. theta energy: -138.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1604.850791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.850791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.850791 (E_RNA)
where:
Base-Base interactions energy: -1088.566
where: short stacking energy: -469.127
Base-Backbone interact. energy: -1.892
local terms energy: -514.392952
where:
bonds (distance) C4'-P energy: -94.899
bonds (distance) P-C4' energy: -84.813
flat angles C4'-P-C4' energy: -120.708
flat angles P-C4'-P energy: -76.053
tors. eta vs tors. theta energy: -137.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1490.313714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.313714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.313714 (E_RNA)
where:
Base-Base interactions energy: -1009.672
where: short stacking energy: -421.153
Base-Backbone interact. energy: -0.729
local terms energy: -479.912824
where:
bonds (distance) C4'-P energy: -93.556
bonds (distance) P-C4' energy: -99.553
flat angles C4'-P-C4' energy: -101.014
flat angles P-C4'-P energy: -68.502
tors. eta vs tors. theta energy: -117.288
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: 5, replica: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1413.028423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.028423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.028423 (E_RNA)
where:
Base-Base interactions energy: -917.405
where: short stacking energy: -395.694
Base-Backbone interact. energy: -0.220
local terms energy: -495.403637
where:
bonds (distance) C4'-P energy: -94.885
bonds (distance) P-C4' energy: -106.601
flat angles C4'-P-C4' energy: -99.662
flat angles P-C4'-P energy: -75.021
tors. eta vs tors. theta energy: -119.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1332.505735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.505735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.505735 (E_RNA)
where:
Base-Base interactions energy: -894.289
where: short stacking energy: -399.298
Base-Backbone interact. energy: 0.486
local terms energy: -438.703044
where:
bonds (distance) C4'-P energy: -68.681
bonds (distance) P-C4' energy: -98.042
flat angles C4'-P-C4' energy: -97.905
flat angles P-C4'-P energy: -53.597
tors. eta vs tors. theta energy: -120.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1103.648509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.648509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.648509 (E_RNA)
where:
Base-Base interactions energy: -720.698
where: short stacking energy: -321.951
Base-Backbone interact. energy: 3.124
local terms energy: -386.074338
where:
bonds (distance) C4'-P energy: -75.514
bonds (distance) P-C4' energy: -89.879
flat angles C4'-P-C4' energy: -87.998
flat angles P-C4'-P energy: -59.923
tors. eta vs tors. theta energy: -72.761
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: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -946.429228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.429228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.429228 (E_RNA)
where:
Base-Base interactions energy: -580.318
where: short stacking energy: -266.350
Base-Backbone interact. energy: -0.478
local terms energy: -365.632614
where:
bonds (distance) C4'-P energy: -66.358
bonds (distance) P-C4' energy: -93.619
flat angles C4'-P-C4' energy: -105.958
flat angles P-C4'-P energy: -47.878
tors. eta vs tors. theta energy: -51.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -805.283492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.283492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.283492 (E_RNA)
where:
Base-Base interactions energy: -485.748
where: short stacking energy: -228.092
Base-Backbone interact. energy: -0.663
local terms energy: -318.872897
where:
bonds (distance) C4'-P energy: -81.162
bonds (distance) P-C4' energy: -91.710
flat angles C4'-P-C4' energy: -62.652
flat angles P-C4'-P energy: -47.188
tors. eta vs tors. theta energy: -36.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -587.798858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.798858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.798858 (E_RNA)
where:
Base-Base interactions energy: -332.230
where: short stacking energy: -157.170
Base-Backbone interact. energy: -2.039
local terms energy: -253.529827
where:
bonds (distance) C4'-P energy: -71.308
bonds (distance) P-C4' energy: -78.890
flat angles C4'-P-C4' energy: -69.275
flat angles P-C4'-P energy: -38.696
tors. eta vs tors. theta energy: 4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1764.087829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.087829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.087829 (E_RNA)
where:
Base-Base interactions energy: -1208.707
where: short stacking energy: -527.903
Base-Backbone interact. energy: -0.980
local terms energy: -554.400616
where:
bonds (distance) C4'-P energy: -103.823
bonds (distance) P-C4' energy: -96.579
flat angles C4'-P-C4' energy: -117.221
flat angles P-C4'-P energy: -82.090
tors. eta vs tors. theta energy: -154.687
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: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1671.567533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.567533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.567533 (E_RNA)
where:
Base-Base interactions energy: -1159.266
where: short stacking energy: -485.058
Base-Backbone interact. energy: -3.483
local terms energy: -508.818795
where:
bonds (distance) C4'-P energy: -94.524
bonds (distance) P-C4' energy: -110.185
flat angles C4'-P-C4' energy: -108.916
flat angles P-C4'-P energy: -59.440
tors. eta vs tors. theta energy: -135.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1562.690062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.690062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.690062 (E_RNA)
where:
Base-Base interactions energy: -1054.211
where: short stacking energy: -461.701
Base-Backbone interact. energy: -3.951
local terms energy: -504.528419
where:
bonds (distance) C4'-P energy: -93.790
bonds (distance) P-C4' energy: -97.350
flat angles C4'-P-C4' energy: -114.770
flat angles P-C4'-P energy: -71.046
tors. eta vs tors. theta energy: -127.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1458.177597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.177597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.177597 (E_RNA)
where:
Base-Base interactions energy: -963.667
where: short stacking energy: -423.806
Base-Backbone interact. energy: -1.935
local terms energy: -492.575715
where:
bonds (distance) C4'-P energy: -102.009
bonds (distance) P-C4' energy: -96.890
flat angles C4'-P-C4' energy: -105.235
flat angles P-C4'-P energy: -58.123
tors. eta vs tors. theta energy: -130.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1395.283351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.283351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.283351 (E_RNA)
where:
Base-Base interactions energy: -920.780
where: short stacking energy: -414.356
Base-Backbone interact. energy: -3.587
local terms energy: -470.916238
where:
bonds (distance) C4'-P energy: -89.130
bonds (distance) P-C4' energy: -88.399
flat angles C4'-P-C4' energy: -117.235
flat angles P-C4'-P energy: -60.606
tors. eta vs tors. theta energy: -115.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1308.760946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.760946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.760946 (E_RNA)
where:
Base-Base interactions energy: -892.221
where: short stacking energy: -385.137
Base-Backbone interact. energy: 0.070
local terms energy: -416.609399
where:
bonds (distance) C4'-P energy: -94.451
bonds (distance) P-C4' energy: -82.544
flat angles C4'-P-C4' energy: -90.535
flat angles P-C4'-P energy: -59.090
tors. eta vs tors. theta energy: -89.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1085.014953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.014953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.014953 (E_RNA)
where:
Base-Base interactions energy: -687.399
where: short stacking energy: -308.851
Base-Backbone interact. energy: 2.209
local terms energy: -399.825051
where:
bonds (distance) C4'-P energy: -92.122
bonds (distance) P-C4' energy: -84.796
flat angles C4'-P-C4' energy: -96.585
flat angles P-C4'-P energy: -60.923
tors. eta vs tors. theta energy: -65.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -997.414239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.414239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.414239 (E_RNA)
where:
Base-Base interactions energy: -615.956
where: short stacking energy: -297.619
Base-Backbone interact. energy: 2.639
local terms energy: -384.097741
where:
bonds (distance) C4'-P energy: -76.146
bonds (distance) P-C4' energy: -88.845
flat angles C4'-P-C4' energy: -77.109
flat angles P-C4'-P energy: -65.503
tors. eta vs tors. theta energy: -76.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -814.307758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.307758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.307758 (E_RNA)
where:
Base-Base interactions energy: -508.552
where: short stacking energy: -253.846
Base-Backbone interact. energy: -2.343
local terms energy: -303.412629
where:
bonds (distance) C4'-P energy: -60.061
bonds (distance) P-C4' energy: -78.011
flat angles C4'-P-C4' energy: -75.728
flat angles P-C4'-P energy: -51.783
tors. eta vs tors. theta energy: -37.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -520.711318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.711318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.711318 (E_RNA)
where:
Base-Base interactions energy: -248.941
where: short stacking energy: -150.884
Base-Backbone interact. energy: -0.855
local terms energy: -270.915424
where:
bonds (distance) C4'-P energy: -87.371
bonds (distance) P-C4' energy: -84.368
flat angles C4'-P-C4' energy: -78.190
flat angles P-C4'-P energy: -25.547
tors. eta vs tors. theta energy: 4.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1741.682209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.682209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.682209 (E_RNA)
where:
Base-Base interactions energy: -1193.953
where: short stacking energy: -527.728
Base-Backbone interact. energy: -1.890
local terms energy: -545.839514
where:
bonds (distance) C4'-P energy: -106.878
bonds (distance) P-C4' energy: -92.319
flat angles C4'-P-C4' energy: -104.852
flat angles P-C4'-P energy: -84.145
tors. eta vs tors. theta energy: -157.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1672.948816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.948816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.948816 (E_RNA)
where:
Base-Base interactions energy: -1143.540
where: short stacking energy: -481.861
Base-Backbone interact. energy: -0.610
local terms energy: -528.799178
where:
bonds (distance) C4'-P energy: -107.036
bonds (distance) P-C4' energy: -108.019
flat angles C4'-P-C4' energy: -108.617
flat angles P-C4'-P energy: -64.878
tors. eta vs tors. theta energy: -140.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1576.181282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.181282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.181282 (E_RNA)
where:
Base-Base interactions energy: -1074.222
where: short stacking energy: -459.746
Base-Backbone interact. energy: -2.275
local terms energy: -499.684277
where:
bonds (distance) C4'-P energy: -87.338
bonds (distance) P-C4' energy: -109.228
flat angles C4'-P-C4' energy: -110.346
flat angles P-C4'-P energy: -64.543
tors. eta vs tors. theta energy: -128.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1458.995647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.995647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.995647 (E_RNA)
where:
Base-Base interactions energy: -974.196
where: short stacking energy: -423.849
Base-Backbone interact. energy: -0.550
local terms energy: -484.248734
where:
bonds (distance) C4'-P energy: -83.079
bonds (distance) P-C4' energy: -98.560
flat angles C4'-P-C4' energy: -100.555
flat angles P-C4'-P energy: -73.002
tors. eta vs tors. theta energy: -129.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1400.274527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.274527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.274527 (E_RNA)
where:
Base-Base interactions energy: -954.578
where: short stacking energy: -410.466
Base-Backbone interact. energy: -2.890
local terms energy: -442.806975
where:
bonds (distance) C4'-P energy: -92.747
bonds (distance) P-C4' energy: -91.500
flat angles C4'-P-C4' energy: -89.417
flat angles P-C4'-P energy: -56.800
tors. eta vs tors. theta energy: -112.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1325.102798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.102798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.102798 (E_RNA)
where:
Base-Base interactions energy: -921.258
where: short stacking energy: -390.639
Base-Backbone interact. energy: -4.024
local terms energy: -399.820938
where:
bonds (distance) C4'-P energy: -77.556
bonds (distance) P-C4' energy: -76.282
flat angles C4'-P-C4' energy: -94.307
flat angles P-C4'-P energy: -56.500
tors. eta vs tors. theta energy: -95.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1104.608158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.608158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.608158 (E_RNA)
where:
Base-Base interactions energy: -697.511
where: short stacking energy: -328.385
Base-Backbone interact. energy: -0.264
local terms energy: -406.832846
where:
bonds (distance) C4'-P energy: -92.151
bonds (distance) P-C4' energy: -87.226
flat angles C4'-P-C4' energy: -94.233
flat angles P-C4'-P energy: -51.558
tors. eta vs tors. theta energy: -81.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1006.357957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.357957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.357957 (E_RNA)
where:
Base-Base interactions energy: -624.811
where: short stacking energy: -279.138
Base-Backbone interact. energy: -3.839
local terms energy: -377.708711
where:
bonds (distance) C4'-P energy: -80.405
bonds (distance) P-C4' energy: -92.129
flat angles C4'-P-C4' energy: -77.058
flat angles P-C4'-P energy: -67.140
tors. eta vs tors. theta energy: -60.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -836.062188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.062188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.062188 (E_RNA)
where:
Base-Base interactions energy: -480.009
where: short stacking energy: -231.610
Base-Backbone interact. energy: -0.982
local terms energy: -355.070748
where:
bonds (distance) C4'-P energy: -94.752
bonds (distance) P-C4' energy: -84.834
flat angles C4'-P-C4' energy: -81.984
flat angles P-C4'-P energy: -55.529
tors. eta vs tors. theta energy: -37.973
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: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -544.879771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.879771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.879771 (E_RNA)
where:
Base-Base interactions energy: -240.726
where: short stacking energy: -143.017
Base-Backbone interact. energy: 3.430
local terms energy: -307.583225
where:
bonds (distance) C4'-P energy: -87.023
bonds (distance) P-C4' energy: -87.565
flat angles C4'-P-C4' energy: -80.713
flat angles P-C4'-P energy: -52.384
tors. eta vs tors. theta energy: 0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1755.841948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.841948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.841948 (E_RNA)
where:
Base-Base interactions energy: -1194.347
where: short stacking energy: -519.500
Base-Backbone interact. energy: -0.477
local terms energy: -561.017647
where:
bonds (distance) C4'-P energy: -90.673
bonds (distance) P-C4' energy: -117.489
flat angles C4'-P-C4' energy: -115.577
flat angles P-C4'-P energy: -78.850
tors. eta vs tors. theta energy: -158.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1704.994374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.994374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.994374 (E_RNA)
where:
Base-Base interactions energy: -1171.276
where: short stacking energy: -493.210
Base-Backbone interact. energy: -1.338
local terms energy: -532.380265
where:
bonds (distance) C4'-P energy: -107.983
bonds (distance) P-C4' energy: -102.456
flat angles C4'-P-C4' energy: -115.312
flat angles P-C4'-P energy: -64.503
tors. eta vs tors. theta energy: -142.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1578.651487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.651487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.651487 (E_RNA)
where:
Base-Base interactions energy: -1077.154
where: short stacking energy: -447.327
Base-Backbone interact. energy: -1.973
local terms energy: -499.524354
where:
bonds (distance) C4'-P energy: -98.885
bonds (distance) P-C4' energy: -97.012
flat angles C4'-P-C4' energy: -104.385
flat angles P-C4'-P energy: -71.983
tors. eta vs tors. theta energy: -127.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1510.442306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.442306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.442306 (E_RNA)
where:
Base-Base interactions energy: -1011.240
where: short stacking energy: -446.108
Base-Backbone interact. energy: 0.052
local terms energy: -499.254738
where:
bonds (distance) C4'-P energy: -101.758
bonds (distance) P-C4' energy: -90.821
flat angles C4'-P-C4' energy: -115.029
flat angles P-C4'-P energy: -66.073
tors. eta vs tors. theta energy: -125.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1425.855140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.855140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.855140 (E_RNA)
where:
Base-Base interactions energy: -951.813
where: short stacking energy: -392.248
Base-Backbone interact. energy: 0.027
local terms energy: -474.068776
where:
bonds (distance) C4'-P energy: -103.913
bonds (distance) P-C4' energy: -97.686
flat angles C4'-P-C4' energy: -100.116
flat angles P-C4'-P energy: -62.310
tors. eta vs tors. theta energy: -110.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1302.330535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.330535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.330535 (E_RNA)
where:
Base-Base interactions energy: -877.568
where: short stacking energy: -381.347
Base-Backbone interact. energy: -1.301
local terms energy: -423.461137
where:
bonds (distance) C4'-P energy: -89.121
bonds (distance) P-C4' energy: -97.609
flat angles C4'-P-C4' energy: -91.754
flat angles P-C4'-P energy: -47.278
tors. eta vs tors. theta energy: -97.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1102.008420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.008420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.008420 (E_RNA)
where:
Base-Base interactions energy: -677.348
where: short stacking energy: -313.695
Base-Backbone interact. energy: -1.874
local terms energy: -422.787234
where:
bonds (distance) C4'-P energy: -94.483
bonds (distance) P-C4' energy: -95.484
flat angles C4'-P-C4' energy: -95.511
flat angles P-C4'-P energy: -64.756
tors. eta vs tors. theta energy: -72.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -998.761590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.761590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.761590 (E_RNA)
where:
Base-Base interactions energy: -619.861
where: short stacking energy: -301.368
Base-Backbone interact. energy: -0.284
local terms energy: -378.616455
where:
bonds (distance) C4'-P energy: -82.433
bonds (distance) P-C4' energy: -85.962
flat angles C4'-P-C4' energy: -88.599
flat angles P-C4'-P energy: -51.458
tors. eta vs tors. theta energy: -70.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -807.608696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.608696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.608696 (E_RNA)
where:
Base-Base interactions energy: -490.618
where: short stacking energy: -247.415
Base-Backbone interact. energy: -4.000
local terms energy: -312.990487
where:
bonds (distance) C4'-P energy: -67.009
bonds (distance) P-C4' energy: -80.919
flat angles C4'-P-C4' energy: -75.204
flat angles P-C4'-P energy: -64.437
tors. eta vs tors. theta energy: -25.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -515.407724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.407724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.407724 (E_RNA)
where:
Base-Base interactions energy: -236.978
where: short stacking energy: -138.178
Base-Backbone interact. energy: -2.516
local terms energy: -275.913282
where:
bonds (distance) C4'-P energy: -83.190
bonds (distance) P-C4' energy: -79.793
flat angles C4'-P-C4' energy: -70.471
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: 5.082
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: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1743.576908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.576908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.576908 (E_RNA)
where:
Base-Base interactions energy: -1195.936
where: short stacking energy: -529.138
Base-Backbone interact. energy: -1.644
local terms energy: -545.996451
where:
bonds (distance) C4'-P energy: -95.275
bonds (distance) P-C4' energy: -100.819
flat angles C4'-P-C4' energy: -117.344
flat angles P-C4'-P energy: -80.710
tors. eta vs tors. theta energy: -151.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1678.255763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.255763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.255763 (E_RNA)
where:
Base-Base interactions energy: -1160.798
where: short stacking energy: -491.483
Base-Backbone interact. energy: -0.698
local terms energy: -516.759896
where:
bonds (distance) C4'-P energy: -100.729
bonds (distance) P-C4' energy: -97.675
flat angles C4'-P-C4' energy: -102.275
flat angles P-C4'-P energy: -68.491
tors. eta vs tors. theta energy: -147.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1600.206551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.206551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.206551 (E_RNA)
where:
Base-Base interactions energy: -1089.217
where: short stacking energy: -461.532
Base-Backbone interact. energy: -3.382
local terms energy: -507.607561
where:
bonds (distance) C4'-P energy: -97.556
bonds (distance) P-C4' energy: -101.794
flat angles C4'-P-C4' energy: -114.289
flat angles P-C4'-P energy: -69.094
tors. eta vs tors. theta energy: -124.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1507.693081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.693081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.693081 (E_RNA)
where:
Base-Base interactions energy: -1022.323
where: short stacking energy: -435.112
Base-Backbone interact. energy: -1.345
local terms energy: -484.024810
where:
bonds (distance) C4'-P energy: -99.187
bonds (distance) P-C4' energy: -98.177
flat angles C4'-P-C4' energy: -92.614
flat angles P-C4'-P energy: -60.826
tors. eta vs tors. theta energy: -133.221
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: 5, replica: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1482.860730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.860730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.860730 (E_RNA)
where:
Base-Base interactions energy: -995.467
where: short stacking energy: -414.310
Base-Backbone interact. energy: -1.763
local terms energy: -485.630838
where:
bonds (distance) C4'-P energy: -98.037
bonds (distance) P-C4' energy: -92.078
flat angles C4'-P-C4' energy: -103.994
flat angles P-C4'-P energy: -60.913
tors. eta vs tors. theta energy: -130.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1303.320508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.320508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.320508 (E_RNA)
where:
Base-Base interactions energy: -872.443
where: short stacking energy: -362.303
Base-Backbone interact. energy: 0.086
local terms energy: -430.963676
where:
bonds (distance) C4'-P energy: -71.493
bonds (distance) P-C4' energy: -95.353
flat angles C4'-P-C4' energy: -99.923
flat angles P-C4'-P energy: -65.467
tors. eta vs tors. theta energy: -98.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1073.861444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.861444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.861444 (E_RNA)
where:
Base-Base interactions energy: -681.492
where: short stacking energy: -317.169
Base-Backbone interact. energy: 2.316
local terms energy: -394.685497
where:
bonds (distance) C4'-P energy: -76.202
bonds (distance) P-C4' energy: -101.577
flat angles C4'-P-C4' energy: -90.335
flat angles P-C4'-P energy: -59.921
tors. eta vs tors. theta energy: -66.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1006.408504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.408504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.408504 (E_RNA)
where:
Base-Base interactions energy: -644.234
where: short stacking energy: -285.304
Base-Backbone interact. energy: -0.644
local terms energy: -361.531402
where:
bonds (distance) C4'-P energy: -85.811
bonds (distance) P-C4' energy: -82.761
flat angles C4'-P-C4' energy: -83.569
flat angles P-C4'-P energy: -61.114
tors. eta vs tors. theta energy: -48.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -833.235751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.235751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.235751 (E_RNA)
where:
Base-Base interactions energy: -522.168
where: short stacking energy: -217.559
Base-Backbone interact. energy: 7.378
local terms energy: -318.446048
where:
bonds (distance) C4'-P energy: -76.634
bonds (distance) P-C4' energy: -71.269
flat angles C4'-P-C4' energy: -88.414
flat angles P-C4'-P energy: -56.940
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -566.084895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.084895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.084895 (E_RNA)
where:
Base-Base interactions energy: -299.560
where: short stacking energy: -188.487
Base-Backbone interact. energy: 1.459
local terms energy: -267.983976
where:
bonds (distance) C4'-P energy: -65.180
bonds (distance) P-C4' energy: -77.158
flat angles C4'-P-C4' energy: -81.776
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1707.992292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.992292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.992292 (E_RNA)
where:
Base-Base interactions energy: -1177.888
where: short stacking energy: -510.025
Base-Backbone interact. energy: -1.111
local terms energy: -528.993318
where:
bonds (distance) C4'-P energy: -96.069
bonds (distance) P-C4' energy: -100.424
flat angles C4'-P-C4' energy: -103.069
flat angles P-C4'-P energy: -78.619
tors. eta vs tors. theta energy: -150.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1740.174829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.174829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.174829 (E_RNA)
where:
Base-Base interactions energy: -1184.727
where: short stacking energy: -505.935
Base-Backbone interact. energy: -1.702
local terms energy: -553.746105
where:
bonds (distance) C4'-P energy: -97.808
bonds (distance) P-C4' energy: -108.815
flat angles C4'-P-C4' energy: -108.041
flat angles P-C4'-P energy: -84.548
tors. eta vs tors. theta energy: -154.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1616.828295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.828295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.828295 (E_RNA)
where:
Base-Base interactions energy: -1106.542
where: short stacking energy: -474.798
Base-Backbone interact. energy: -1.923
local terms energy: -508.362856
where:
bonds (distance) C4'-P energy: -87.035
bonds (distance) P-C4' energy: -97.789
flat angles C4'-P-C4' energy: -117.607
flat angles P-C4'-P energy: -80.798
tors. eta vs tors. theta energy: -125.135
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: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1492.138723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.138723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.138723 (E_RNA)
where:
Base-Base interactions energy: -1034.470
where: short stacking energy: -437.486
Base-Backbone interact. energy: -2.155
local terms energy: -455.514323
where:
bonds (distance) C4'-P energy: -99.917
bonds (distance) P-C4' energy: -72.049
flat angles C4'-P-C4' energy: -94.726
flat angles P-C4'-P energy: -73.712
tors. eta vs tors. theta energy: -115.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1548.529557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.529557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.529557 (E_RNA)
where:
Base-Base interactions energy: -1062.618
where: short stacking energy: -472.999
Base-Backbone interact. energy: 3.017
local terms energy: -488.928139
where:
bonds (distance) C4'-P energy: -89.545
bonds (distance) P-C4' energy: -92.775
flat angles C4'-P-C4' energy: -106.925
flat angles P-C4'-P energy: -62.603
tors. eta vs tors. theta energy: -137.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1259.680747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.680747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.680747 (E_RNA)
where:
Base-Base interactions energy: -821.098
where: short stacking energy: -368.712
Base-Backbone interact. energy: -4.500
local terms energy: -434.083316
where:
bonds (distance) C4'-P energy: -94.040
bonds (distance) P-C4' energy: -91.667
flat angles C4'-P-C4' energy: -100.015
flat angles P-C4'-P energy: -46.858
tors. eta vs tors. theta energy: -101.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1114.953804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.953804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.953804 (E_RNA)
where:
Base-Base interactions energy: -712.853
where: short stacking energy: -311.147
Base-Backbone interact. energy: -3.490
local terms energy: -398.610868
where:
bonds (distance) C4'-P energy: -88.222
bonds (distance) P-C4' energy: -72.674
flat angles C4'-P-C4' energy: -97.592
flat angles P-C4'-P energy: -65.701
tors. eta vs tors. theta energy: -74.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -960.818460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.818460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.818460 (E_RNA)
where:
Base-Base interactions energy: -576.523
where: short stacking energy: -265.359
Base-Backbone interact. energy: 1.030
local terms energy: -385.325391
where:
bonds (distance) C4'-P energy: -81.568
bonds (distance) P-C4' energy: -95.181
flat angles C4'-P-C4' energy: -87.919
flat angles P-C4'-P energy: -61.743
tors. eta vs tors. theta energy: -58.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -802.409833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.409833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.409833 (E_RNA)
where:
Base-Base interactions energy: -437.021
where: short stacking energy: -220.180
Base-Backbone interact. energy: -0.494
local terms energy: -364.894521
where:
bonds (distance) C4'-P energy: -91.383
bonds (distance) P-C4' energy: -101.922
flat angles C4'-P-C4' energy: -87.808
flat angles P-C4'-P energy: -51.819
tors. eta vs tors. theta energy: -31.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -529.044939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.044939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.044939 (E_RNA)
where:
Base-Base interactions energy: -229.875
where: short stacking energy: -146.816
Base-Backbone interact. energy: 0.263
local terms energy: -299.432799
where:
bonds (distance) C4'-P energy: -79.280
bonds (distance) P-C4' energy: -93.800
flat angles C4'-P-C4' energy: -76.011
flat angles P-C4'-P energy: -49.692
tors. eta vs tors. theta energy: -0.649
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: 8
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1725.914740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.914740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.914740 (E_RNA)
where:
Base-Base interactions energy: -1162.617
where: short stacking energy: -494.274
Base-Backbone interact. energy: -0.695
local terms energy: -562.602572
where:
bonds (distance) C4'-P energy: -106.787
bonds (distance) P-C4' energy: -103.914
flat angles C4'-P-C4' energy: -122.417
flat angles P-C4'-P energy: -81.330
tors. eta vs tors. theta energy: -148.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1710.670045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.670045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.670045 (E_RNA)
where:
Base-Base interactions energy: -1165.733
where: short stacking energy: -510.509
Base-Backbone interact. energy: 0.974
local terms energy: -545.911321
where:
bonds (distance) C4'-P energy: -90.131
bonds (distance) P-C4' energy: -104.681
flat angles C4'-P-C4' energy: -118.946
flat angles P-C4'-P energy: -80.116
tors. eta vs tors. theta energy: -152.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1608.266244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.266244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.266244 (E_RNA)
where:
Base-Base interactions energy: -1086.666
where: short stacking energy: -482.158
Base-Backbone interact. energy: 1.495
local terms energy: -523.094849
where:
bonds (distance) C4'-P energy: -97.637
bonds (distance) P-C4' energy: -103.092
flat angles C4'-P-C4' energy: -105.371
flat angles P-C4'-P energy: -79.037
tors. eta vs tors. theta energy: -137.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1595.179110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.179110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.179110 (E_RNA)
where:
Base-Base interactions energy: -1083.344
where: short stacking energy: -459.864
Base-Backbone interact. energy: -2.709
local terms energy: -509.126187
where:
bonds (distance) C4'-P energy: -84.422
bonds (distance) P-C4' energy: -89.203
flat angles C4'-P-C4' energy: -112.034
flat angles P-C4'-P energy: -76.254
tors. eta vs tors. theta energy: -147.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1405.732067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.732067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.732067 (E_RNA)
where:
Base-Base interactions energy: -943.238
where: short stacking energy: -409.493
Base-Backbone interact. energy: -1.631
local terms energy: -460.862980
where:
bonds (distance) C4'-P energy: -89.908
bonds (distance) P-C4' energy: -88.457
flat angles C4'-P-C4' energy: -108.600
flat angles P-C4'-P energy: -53.920
tors. eta vs tors. theta energy: -119.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1310.628937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.628937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.628937 (E_RNA)
where:
Base-Base interactions energy: -839.011
where: short stacking energy: -358.810
Base-Backbone interact. energy: -1.432
local terms energy: -470.186209
where:
bonds (distance) C4'-P energy: -100.112
bonds (distance) P-C4' energy: -100.519
flat angles C4'-P-C4' energy: -109.831
flat angles P-C4'-P energy: -61.426
tors. eta vs tors. theta energy: -98.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1082.506940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.506940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.506940 (E_RNA)
where:
Base-Base interactions energy: -702.115
where: short stacking energy: -316.410
Base-Backbone interact. energy: 2.033
local terms energy: -382.424240
where:
bonds (distance) C4'-P energy: -78.644
bonds (distance) P-C4' energy: -78.612
flat angles C4'-P-C4' energy: -88.353
flat angles P-C4'-P energy: -52.922
tors. eta vs tors. theta energy: -83.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -986.663767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.663767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.663767 (E_RNA)
where:
Base-Base interactions energy: -620.042
where: short stacking energy: -305.440
Base-Backbone interact. energy: -2.038
local terms energy: -364.583982
where:
bonds (distance) C4'-P energy: -79.625
bonds (distance) P-C4' energy: -78.233
flat angles C4'-P-C4' energy: -83.012
flat angles P-C4'-P energy: -55.731
tors. eta vs tors. theta energy: -67.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -832.186173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.186173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.186173 (E_RNA)
where:
Base-Base interactions energy: -493.362
where: short stacking energy: -237.110
Base-Backbone interact. energy: -1.361
local terms energy: -337.463130
where:
bonds (distance) C4'-P energy: -86.764
bonds (distance) P-C4' energy: -89.055
flat angles C4'-P-C4' energy: -63.623
flat angles P-C4'-P energy: -54.362
tors. eta vs tors. theta energy: -43.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -543.433808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.433808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.433808 (E_RNA)
where:
Base-Base interactions energy: -262.385
where: short stacking energy: -144.966
Base-Backbone interact. energy: 2.856
local terms energy: -283.905278
where:
bonds (distance) C4'-P energy: -76.495
bonds (distance) P-C4' energy: -77.453
flat angles C4'-P-C4' energy: -85.156
flat angles P-C4'-P energy: -45.570
tors. eta vs tors. theta energy: 0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1740.769447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.769447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.769447 (E_RNA)
where:
Base-Base interactions energy: -1191.212
where: short stacking energy: -509.846
Base-Backbone interact. energy: -0.563
local terms energy: -548.994791
where:
bonds (distance) C4'-P energy: -107.803
bonds (distance) P-C4' energy: -92.046
flat angles C4'-P-C4' energy: -117.378
flat angles P-C4'-P energy: -80.224
tors. eta vs tors. theta energy: -151.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1691.067721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.067721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.067721 (E_RNA)
where:
Base-Base interactions energy: -1140.993
where: short stacking energy: -490.925
Base-Backbone interact. energy: -2.497
local terms energy: -547.576957
where:
bonds (distance) C4'-P energy: -109.229
bonds (distance) P-C4' energy: -101.752
flat angles C4'-P-C4' energy: -117.482
flat angles P-C4'-P energy: -76.791
tors. eta vs tors. theta energy: -142.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1578.885581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.885581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.885581 (E_RNA)
where:
Base-Base interactions energy: -1087.466
where: short stacking energy: -474.130
Base-Backbone interact. energy: 0.282
local terms energy: -491.702111
where:
bonds (distance) C4'-P energy: -95.722
bonds (distance) P-C4' energy: -93.467
flat angles C4'-P-C4' energy: -98.281
flat angles P-C4'-P energy: -80.920
tors. eta vs tors. theta energy: -123.312
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: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1595.962685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.962685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.962685 (E_RNA)
where:
Base-Base interactions energy: -1066.648
where: short stacking energy: -461.867
Base-Backbone interact. energy: 2.096
local terms energy: -531.411115
where:
bonds (distance) C4'-P energy: -100.747
bonds (distance) P-C4' energy: -98.830
flat angles C4'-P-C4' energy: -108.944
flat angles P-C4'-P energy: -71.158
tors. eta vs tors. theta energy: -151.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1357.819555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.819555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.819555 (E_RNA)
where:
Base-Base interactions energy: -910.927
where: short stacking energy: -366.302
Base-Backbone interact. energy: -2.007
local terms energy: -444.885158
where:
bonds (distance) C4'-P energy: -79.064
bonds (distance) P-C4' energy: -96.392
flat angles C4'-P-C4' energy: -92.795
flat angles P-C4'-P energy: -73.771
tors. eta vs tors. theta energy: -102.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1290.997134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.997134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.997134 (E_RNA)
where:
Base-Base interactions energy: -838.797
where: short stacking energy: -387.472
Base-Backbone interact. energy: 0.645
local terms energy: -452.845125
where:
bonds (distance) C4'-P energy: -94.996
bonds (distance) P-C4' energy: -98.144
flat angles C4'-P-C4' energy: -99.694
flat angles P-C4'-P energy: -52.430
tors. eta vs tors. theta energy: -107.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1025.496752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.496752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.496752 (E_RNA)
where:
Base-Base interactions energy: -641.989
where: short stacking energy: -292.774
Base-Backbone interact. energy: 5.069
local terms energy: -388.576544
where:
bonds (distance) C4'-P energy: -78.397
bonds (distance) P-C4' energy: -84.774
flat angles C4'-P-C4' energy: -91.415
flat angles P-C4'-P energy: -65.821
tors. eta vs tors. theta energy: -68.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1060.372419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.372419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.372419 (E_RNA)
where:
Base-Base interactions energy: -649.800
where: short stacking energy: -299.629
Base-Backbone interact. energy: -2.386
local terms energy: -408.186161
where:
bonds (distance) C4'-P energy: -88.106
bonds (distance) P-C4' energy: -102.669
flat angles C4'-P-C4' energy: -84.270
flat angles P-C4'-P energy: -72.540
tors. eta vs tors. theta energy: -60.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -882.212172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.212172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.212172 (E_RNA)
where:
Base-Base interactions energy: -547.711
where: short stacking energy: -248.899
Base-Backbone interact. energy: 0.818
local terms energy: -335.319248
where:
bonds (distance) C4'-P energy: -70.938
bonds (distance) P-C4' energy: -94.546
flat angles C4'-P-C4' energy: -92.071
flat angles P-C4'-P energy: -51.699
tors. eta vs tors. theta energy: -26.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -549.658109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.658109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.658109 (E_RNA)
where:
Base-Base interactions energy: -272.105
where: short stacking energy: -158.249
Base-Backbone interact. energy: -0.627
local terms energy: -276.925617
where:
bonds (distance) C4'-P energy: -70.724
bonds (distance) P-C4' energy: -76.023
flat angles C4'-P-C4' energy: -73.468
flat angles P-C4'-P energy: -59.585
tors. eta vs tors. theta energy: 2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1748.635335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.635335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.635335 (E_RNA)
where:
Base-Base interactions energy: -1210.408
where: short stacking energy: -515.489
Base-Backbone interact. energy: -0.650
local terms energy: -537.577648
where:
bonds (distance) C4'-P energy: -106.328
bonds (distance) P-C4' energy: -96.826
flat angles C4'-P-C4' energy: -113.438
flat angles P-C4'-P energy: -66.101
tors. eta vs tors. theta energy: -154.886
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: 8
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1673.542586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.542586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.542586 (E_RNA)
where:
Base-Base interactions energy: -1149.687
where: short stacking energy: -495.275
Base-Backbone interact. energy: -2.001
local terms energy: -521.853999
where:
bonds (distance) C4'-P energy: -105.377
bonds (distance) P-C4' energy: -102.012
flat angles C4'-P-C4' energy: -106.886
flat angles P-C4'-P energy: -68.568
tors. eta vs tors. theta energy: -139.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1580.886539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.886539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.886539 (E_RNA)
where:
Base-Base interactions energy: -1081.160
where: short stacking energy: -467.803
Base-Backbone interact. energy: -3.543
local terms energy: -496.183640
where:
bonds (distance) C4'-P energy: -101.132
bonds (distance) P-C4' energy: -89.696
flat angles C4'-P-C4' energy: -111.796
flat angles P-C4'-P energy: -64.385
tors. eta vs tors. theta energy: -129.176
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: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1590.815339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.815339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.815339 (E_RNA)
where:
Base-Base interactions energy: -1087.946
where: short stacking energy: -453.593
Base-Backbone interact. energy: -2.592
local terms energy: -500.277370
where:
bonds (distance) C4'-P energy: -83.345
bonds (distance) P-C4' energy: -95.931
flat angles C4'-P-C4' energy: -111.451
flat angles P-C4'-P energy: -73.709
tors. eta vs tors. theta energy: -135.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1381.556660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.556660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.556660 (E_RNA)
where:
Base-Base interactions energy: -940.861
where: short stacking energy: -393.449
Base-Backbone interact. energy: 0.979
local terms energy: -441.674417
where:
bonds (distance) C4'-P energy: -83.327
bonds (distance) P-C4' energy: -92.100
flat angles C4'-P-C4' energy: -101.426
flat angles P-C4'-P energy: -65.688
tors. eta vs tors. theta energy: -99.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1290.848422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.848422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.848422 (E_RNA)
where:
Base-Base interactions energy: -852.578
where: short stacking energy: -381.867
Base-Backbone interact. energy: -2.021
local terms energy: -436.249525
where:
bonds (distance) C4'-P energy: -88.022
bonds (distance) P-C4' energy: -90.166
flat angles C4'-P-C4' energy: -88.303
flat angles P-C4'-P energy: -75.571
tors. eta vs tors. theta energy: -94.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1029.809311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.809311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.809311 (E_RNA)
where:
Base-Base interactions energy: -662.733
where: short stacking energy: -314.453
Base-Backbone interact. energy: -0.780
local terms energy: -366.296448
where:
bonds (distance) C4'-P energy: -81.302
bonds (distance) P-C4' energy: -87.381
flat angles C4'-P-C4' energy: -88.655
flat angles P-C4'-P energy: -52.678
tors. eta vs tors. theta energy: -56.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1069.994181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.994181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.994181 (E_RNA)
where:
Base-Base interactions energy: -692.991
where: short stacking energy: -314.160
Base-Backbone interact. energy: -3.746
local terms energy: -373.257679
where:
bonds (distance) C4'-P energy: -92.148
bonds (distance) P-C4' energy: -77.129
flat angles C4'-P-C4' energy: -79.240
flat angles P-C4'-P energy: -53.729
tors. eta vs tors. theta energy: -71.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -897.774163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.774163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.774163 (E_RNA)
where:
Base-Base interactions energy: -561.270
where: short stacking energy: -257.143
Base-Backbone interact. energy: 2.026
local terms energy: -338.530289
where:
bonds (distance) C4'-P energy: -87.448
bonds (distance) P-C4' energy: -80.673
flat angles C4'-P-C4' energy: -79.472
flat angles P-C4'-P energy: -54.742
tors. eta vs tors. theta energy: -36.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -543.799094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.799094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.799094 (E_RNA)
where:
Base-Base interactions energy: -221.251
where: short stacking energy: -122.077
Base-Backbone interact. energy: 1.252
local terms energy: -323.800673
where:
bonds (distance) C4'-P energy: -89.832
bonds (distance) P-C4' energy: -84.264
flat angles C4'-P-C4' energy: -97.309
flat angles P-C4'-P energy: -51.716
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1693.952494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.952494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.952494 (E_RNA)
where:
Base-Base interactions energy: -1154.865
where: short stacking energy: -499.306
Base-Backbone interact. energy: 0.088
local terms energy: -539.175476
where:
bonds (distance) C4'-P energy: -96.711
bonds (distance) P-C4' energy: -105.569
flat angles C4'-P-C4' energy: -114.688
flat angles P-C4'-P energy: -77.560
tors. eta vs tors. theta energy: -144.648
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: 2, replica: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1730.941454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.941454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.941454 (E_RNA)
where:
Base-Base interactions energy: -1182.572
where: short stacking energy: -528.582
Base-Backbone interact. energy: 1.433
local terms energy: -549.801969
where:
bonds (distance) C4'-P energy: -93.152
bonds (distance) P-C4' energy: -100.105
flat angles C4'-P-C4' energy: -120.077
flat angles P-C4'-P energy: -76.327
tors. eta vs tors. theta energy: -160.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1621.274246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.274246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.274246 (E_RNA)
where:
Base-Base interactions energy: -1110.471
where: short stacking energy: -498.171
Base-Backbone interact. energy: -2.655
local terms energy: -508.147405
where:
bonds (distance) C4'-P energy: -98.014
bonds (distance) P-C4' energy: -87.636
flat angles C4'-P-C4' energy: -110.580
flat angles P-C4'-P energy: -63.447
tors. eta vs tors. theta energy: -148.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1539.041485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.041485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.041485 (E_RNA)
where:
Base-Base interactions energy: -1076.806
where: short stacking energy: -441.822
Base-Backbone interact. energy: 2.590
local terms energy: -464.825773
where:
bonds (distance) C4'-P energy: -90.501
bonds (distance) P-C4' energy: -80.782
flat angles C4'-P-C4' energy: -100.047
flat angles P-C4'-P energy: -73.927
tors. eta vs tors. theta energy: -119.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1398.218913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.218913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.218913 (E_RNA)
where:
Base-Base interactions energy: -916.356
where: short stacking energy: -395.610
Base-Backbone interact. energy: -0.057
local terms energy: -481.805876
where:
bonds (distance) C4'-P energy: -94.187
bonds (distance) P-C4' energy: -96.944
flat angles C4'-P-C4' energy: -115.149
flat angles P-C4'-P energy: -67.044
tors. eta vs tors. theta energy: -108.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1254.691361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.691361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.691361 (E_RNA)
where:
Base-Base interactions energy: -814.041
where: short stacking energy: -359.083
Base-Backbone interact. energy: -2.854
local terms energy: -437.796391
where:
bonds (distance) C4'-P energy: -100.837
bonds (distance) P-C4' energy: -88.289
flat angles C4'-P-C4' energy: -104.076
flat angles P-C4'-P energy: -50.795
tors. eta vs tors. theta energy: -93.800
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: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1090.092916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.092916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.092916 (E_RNA)
where:
Base-Base interactions energy: -700.940
where: short stacking energy: -311.407
Base-Backbone interact. energy: -0.919
local terms energy: -388.233999
where:
bonds (distance) C4'-P energy: -75.674
bonds (distance) P-C4' energy: -98.596
flat angles C4'-P-C4' energy: -86.648
flat angles P-C4'-P energy: -57.507
tors. eta vs tors. theta energy: -69.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1012.504790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.504790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.504790 (E_RNA)
where:
Base-Base interactions energy: -630.252
where: short stacking energy: -296.944
Base-Backbone interact. energy: 4.598
local terms energy: -386.850265
where:
bonds (distance) C4'-P energy: -82.999
bonds (distance) P-C4' energy: -94.826
flat angles C4'-P-C4' energy: -86.047
flat angles P-C4'-P energy: -58.134
tors. eta vs tors. theta energy: -64.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -967.743661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.743661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.743661 (E_RNA)
where:
Base-Base interactions energy: -615.180
where: short stacking energy: -277.048
Base-Backbone interact. energy: -0.200
local terms energy: -352.364026
where:
bonds (distance) C4'-P energy: -78.718
bonds (distance) P-C4' energy: -88.334
flat angles C4'-P-C4' energy: -85.566
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -55.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -544.551619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.551619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.551619 (E_RNA)
where:
Base-Base interactions energy: -249.815
where: short stacking energy: -152.333
Base-Backbone interact. energy: -2.641
local terms energy: -292.095221
where:
bonds (distance) C4'-P energy: -87.677
bonds (distance) P-C4' energy: -97.628
flat angles C4'-P-C4' energy: -61.588
flat angles P-C4'-P energy: -47.858
tors. eta vs tors. theta energy: 2.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1706.924465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.924465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.924465 (E_RNA)
where:
Base-Base interactions energy: -1188.910
where: short stacking energy: -503.141
Base-Backbone interact. energy: -1.744
local terms energy: -516.270288
where:
bonds (distance) C4'-P energy: -100.412
bonds (distance) P-C4' energy: -96.617
flat angles C4'-P-C4' energy: -113.289
flat angles P-C4'-P energy: -73.995
tors. eta vs tors. theta energy: -131.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1725.246071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.246071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.246071 (E_RNA)
where:
Base-Base interactions energy: -1177.496
where: short stacking energy: -494.331
Base-Backbone interact. energy: -1.605
local terms energy: -546.145048
where:
bonds (distance) C4'-P energy: -107.925
bonds (distance) P-C4' energy: -99.312
flat angles C4'-P-C4' energy: -118.144
flat angles P-C4'-P energy: -73.619
tors. eta vs tors. theta energy: -147.146
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: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1658.130005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.130005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.130005 (E_RNA)
where:
Base-Base interactions energy: -1106.077
where: short stacking energy: -484.280
Base-Backbone interact. energy: -0.087
local terms energy: -551.965692
where:
bonds (distance) C4'-P energy: -97.477
bonds (distance) P-C4' energy: -105.438
flat angles C4'-P-C4' energy: -113.411
flat angles P-C4'-P energy: -86.369
tors. eta vs tors. theta energy: -149.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1548.732494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.732494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.732494 (E_RNA)
where:
Base-Base interactions energy: -1075.976
where: short stacking energy: -438.734
Base-Backbone interact. energy: 0.236
local terms energy: -472.992393
where:
bonds (distance) C4'-P energy: -90.152
bonds (distance) P-C4' energy: -97.681
flat angles C4'-P-C4' energy: -99.843
flat angles P-C4'-P energy: -66.236
tors. eta vs tors. theta energy: -119.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1414.214875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.214875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.214875 (E_RNA)
where:
Base-Base interactions energy: -955.747
where: short stacking energy: -395.767
Base-Backbone interact. energy: -1.285
local terms energy: -457.182279
where:
bonds (distance) C4'-P energy: -71.957
bonds (distance) P-C4' energy: -100.733
flat angles C4'-P-C4' energy: -103.286
flat angles P-C4'-P energy: -70.857
tors. eta vs tors. theta energy: -110.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1250.389647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.389647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.389647 (E_RNA)
where:
Base-Base interactions energy: -832.608
where: short stacking energy: -376.878
Base-Backbone interact. energy: 0.415
local terms energy: -418.196181
where:
bonds (distance) C4'-P energy: -90.123
bonds (distance) P-C4' energy: -85.527
flat angles C4'-P-C4' energy: -99.350
flat angles P-C4'-P energy: -51.352
tors. eta vs tors. theta energy: -91.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1124.604239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.604239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.604239 (E_RNA)
where:
Base-Base interactions energy: -729.120
where: short stacking energy: -322.723
Base-Backbone interact. energy: 1.732
local terms energy: -397.216274
where:
bonds (distance) C4'-P energy: -91.185
bonds (distance) P-C4' energy: -77.673
flat angles C4'-P-C4' energy: -95.761
flat angles P-C4'-P energy: -57.931
tors. eta vs tors. theta energy: -74.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -990.393676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.393676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.393676 (E_RNA)
where:
Base-Base interactions energy: -641.746
where: short stacking energy: -295.968
Base-Backbone interact. energy: -2.191
local terms energy: -346.456559
where:
bonds (distance) C4'-P energy: -73.667
bonds (distance) P-C4' energy: -85.934
flat angles C4'-P-C4' energy: -82.317
flat angles P-C4'-P energy: -46.825
tors. eta vs tors. theta energy: -57.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -971.860210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.860210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.860210 (E_RNA)
where:
Base-Base interactions energy: -590.297
where: short stacking energy: -256.630
Base-Backbone interact. energy: 0.178
local terms energy: -381.741129
where:
bonds (distance) C4'-P energy: -96.872
bonds (distance) P-C4' energy: -78.964
flat angles C4'-P-C4' energy: -94.577
flat angles P-C4'-P energy: -61.073
tors. eta vs tors. theta energy: -50.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -552.265763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.265763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.265763 (E_RNA)
where:
Base-Base interactions energy: -261.703
where: short stacking energy: -167.675
Base-Backbone interact. energy: 0.830
local terms energy: -291.392255
where:
bonds (distance) C4'-P energy: -86.769
bonds (distance) P-C4' energy: -86.076
flat angles C4'-P-C4' energy: -70.193
flat angles P-C4'-P energy: -35.980
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1698.648851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.648851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.648851 (E_RNA)
where:
Base-Base interactions energy: -1175.138
where: short stacking energy: -486.463
Base-Backbone interact. energy: -1.196
local terms energy: -522.314485
where:
bonds (distance) C4'-P energy: -98.480
bonds (distance) P-C4' energy: -98.909
flat angles C4'-P-C4' energy: -110.482
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -138.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1710.797185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.797185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.797185 (E_RNA)
where:
Base-Base interactions energy: -1168.683
where: short stacking energy: -515.676
Base-Backbone interact. energy: 1.167
local terms energy: -543.281429
where:
bonds (distance) C4'-P energy: -111.368
bonds (distance) P-C4' energy: -95.907
flat angles C4'-P-C4' energy: -112.787
flat angles P-C4'-P energy: -79.896
tors. eta vs tors. theta energy: -143.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1640.248515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.248515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.248515 (E_RNA)
where:
Base-Base interactions energy: -1123.328
where: short stacking energy: -482.140
Base-Backbone interact. energy: -2.382
local terms energy: -514.538754
where:
bonds (distance) C4'-P energy: -95.518
bonds (distance) P-C4' energy: -89.339
flat angles C4'-P-C4' energy: -112.493
flat angles P-C4'-P energy: -74.169
tors. eta vs tors. theta energy: -143.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1598.294617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.294617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.294617 (E_RNA)
where:
Base-Base interactions energy: -1068.604
where: short stacking energy: -455.701
Base-Backbone interact. energy: -0.312
local terms energy: -529.378282
where:
bonds (distance) C4'-P energy: -95.858
bonds (distance) P-C4' energy: -110.637
flat angles C4'-P-C4' energy: -113.222
flat angles P-C4'-P energy: -76.662
tors. eta vs tors. theta energy: -132.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1440.398211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.398211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.398211 (E_RNA)
where:
Base-Base interactions energy: -947.914
where: short stacking energy: -412.792
Base-Backbone interact. energy: 0.177
local terms energy: -492.660995
where:
bonds (distance) C4'-P energy: -93.224
bonds (distance) P-C4' energy: -97.384
flat angles C4'-P-C4' energy: -106.525
flat angles P-C4'-P energy: -74.567
tors. eta vs tors. theta energy: -120.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1264.262642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.262642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.262642 (E_RNA)
where:
Base-Base interactions energy: -812.882
where: short stacking energy: -347.696
Base-Backbone interact. energy: -0.449
local terms energy: -452.096782
where:
bonds (distance) C4'-P energy: -93.022
bonds (distance) P-C4' energy: -104.153
flat angles C4'-P-C4' energy: -97.218
flat angles P-C4'-P energy: -59.659
tors. eta vs tors. theta energy: -98.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.165 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1095.482060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.482060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.482060 (E_RNA)
where:
Base-Base interactions energy: -707.671
where: short stacking energy: -323.451
Base-Backbone interact. energy: 0.316
local terms energy: -388.127153
where:
bonds (distance) C4'-P energy: -86.941
bonds (distance) P-C4' energy: -99.682
flat angles C4'-P-C4' energy: -80.885
flat angles P-C4'-P energy: -46.353
tors. eta vs tors. theta energy: -74.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -970.066494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.066494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.066494 (E_RNA)
where:
Base-Base interactions energy: -598.801
where: short stacking energy: -260.315
Base-Backbone interact. energy: -1.908
local terms energy: -369.358131
where:
bonds (distance) C4'-P energy: -87.042
bonds (distance) P-C4' energy: -95.143
flat angles C4'-P-C4' energy: -74.343
flat angles P-C4'-P energy: -63.607
tors. eta vs tors. theta energy: -49.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -965.679934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.679934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.679934 (E_RNA)
where:
Base-Base interactions energy: -612.789
where: short stacking energy: -289.965
Base-Backbone interact. energy: 2.023
local terms energy: -354.913779
where:
bonds (distance) C4'-P energy: -83.828
bonds (distance) P-C4' energy: -81.289
flat angles C4'-P-C4' energy: -75.022
flat angles P-C4'-P energy: -49.042
tors. eta vs tors. theta energy: -65.732
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: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -589.867204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.867204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.867204 (E_RNA)
where:
Base-Base interactions energy: -308.870
where: short stacking energy: -184.187
Base-Backbone interact. energy: 8.025
local terms energy: -289.022486
where:
bonds (distance) C4'-P energy: -72.979
bonds (distance) P-C4' energy: -96.309
flat angles C4'-P-C4' energy: -66.036
flat angles P-C4'-P energy: -46.867
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1743.105550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.105550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.105550 (E_RNA)
where:
Base-Base interactions energy: -1182.143
where: short stacking energy: -512.882
Base-Backbone interact. energy: -2.018
local terms energy: -558.944190
where:
bonds (distance) C4'-P energy: -104.604
bonds (distance) P-C4' energy: -118.497
flat angles C4'-P-C4' energy: -120.774
flat angles P-C4'-P energy: -69.446
tors. eta vs tors. theta energy: -145.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1667.988140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.988140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.988140 (E_RNA)
where:
Base-Base interactions energy: -1128.247
where: short stacking energy: -469.261
Base-Backbone interact. energy: -1.525
local terms energy: -538.216183
where:
bonds (distance) C4'-P energy: -102.429
bonds (distance) P-C4' energy: -100.957
flat angles C4'-P-C4' energy: -121.321
flat angles P-C4'-P energy: -74.891
tors. eta vs tors. theta energy: -138.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1650.562823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.562823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.562823 (E_RNA)
where:
Base-Base interactions energy: -1123.043
where: short stacking energy: -505.137
Base-Backbone interact. energy: -1.106
local terms energy: -526.413946
where:
bonds (distance) C4'-P energy: -102.943
bonds (distance) P-C4' energy: -87.498
flat angles C4'-P-C4' energy: -109.126
flat angles P-C4'-P energy: -76.139
tors. eta vs tors. theta energy: -150.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1544.335238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.335238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.335238 (E_RNA)
where:
Base-Base interactions energy: -1063.020
where: short stacking energy: -440.204
Base-Backbone interact. energy: 0.204
local terms energy: -481.519057
where:
bonds (distance) C4'-P energy: -92.184
bonds (distance) P-C4' energy: -81.022
flat angles C4'-P-C4' energy: -113.213
flat angles P-C4'-P energy: -77.868
tors. eta vs tors. theta energy: -117.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1418.260811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.260811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.260811 (E_RNA)
where:
Base-Base interactions energy: -965.517
where: short stacking energy: -407.870
Base-Backbone interact. energy: -2.643
local terms energy: -450.101218
where:
bonds (distance) C4'-P energy: -89.553
bonds (distance) P-C4' energy: -90.986
flat angles C4'-P-C4' energy: -100.316
flat angles P-C4'-P energy: -61.409
tors. eta vs tors. theta energy: -107.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1244.751592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.751592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.751592 (E_RNA)
where:
Base-Base interactions energy: -818.958
where: short stacking energy: -343.676
Base-Backbone interact. energy: -1.093
local terms energy: -424.700310
where:
bonds (distance) C4'-P energy: -87.879
bonds (distance) P-C4' energy: -90.945
flat angles C4'-P-C4' energy: -82.612
flat angles P-C4'-P energy: -69.599
tors. eta vs tors. theta energy: -93.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1067.609378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.609378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.609378 (E_RNA)
where:
Base-Base interactions energy: -677.909
where: short stacking energy: -308.217
Base-Backbone interact. energy: 1.157
local terms energy: -390.857357
where:
bonds (distance) C4'-P energy: -87.255
bonds (distance) P-C4' energy: -86.525
flat angles C4'-P-C4' energy: -86.017
flat angles P-C4'-P energy: -66.020
tors. eta vs tors. theta energy: -65.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -970.328373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.328373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.328373 (E_RNA)
where:
Base-Base interactions energy: -577.094
where: short stacking energy: -281.033
Base-Backbone interact. energy: 1.671
local terms energy: -394.905916
where:
bonds (distance) C4'-P energy: -106.732
bonds (distance) P-C4' energy: -102.825
flat angles C4'-P-C4' energy: -81.968
flat angles P-C4'-P energy: -45.901
tors. eta vs tors. theta energy: -57.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -986.218754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.218754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.218754 (E_RNA)
where:
Base-Base interactions energy: -619.869
where: short stacking energy: -277.763
Base-Backbone interact. energy: 2.061
local terms energy: -368.410611
where:
bonds (distance) C4'-P energy: -74.842
bonds (distance) P-C4' energy: -98.569
flat angles C4'-P-C4' energy: -86.071
flat angles P-C4'-P energy: -49.483
tors. eta vs tors. theta energy: -59.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -566.886740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.886740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.886740 (E_RNA)
where:
Base-Base interactions energy: -272.160
where: short stacking energy: -158.951
Base-Backbone interact. energy: -0.245
local terms energy: -294.481481
where:
bonds (distance) C4'-P energy: -72.829
bonds (distance) P-C4' energy: -86.211
flat angles C4'-P-C4' energy: -69.208
flat angles P-C4'-P energy: -46.745
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1709.686792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.686792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.686792 (E_RNA)
where:
Base-Base interactions energy: -1175.627
where: short stacking energy: -507.319
Base-Backbone interact. energy: 3.193
local terms energy: -537.252568
where:
bonds (distance) C4'-P energy: -104.247
bonds (distance) P-C4' energy: -96.376
flat angles C4'-P-C4' energy: -114.917
flat angles P-C4'-P energy: -71.820
tors. eta vs tors. theta energy: -149.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1663.288954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.288954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.288954 (E_RNA)
where:
Base-Base interactions energy: -1135.378
where: short stacking energy: -498.099
Base-Backbone interact. energy: -0.932
local terms energy: -526.978904
where:
bonds (distance) C4'-P energy: -98.868
bonds (distance) P-C4' energy: -104.619
flat angles C4'-P-C4' energy: -103.916
flat angles P-C4'-P energy: -74.010
tors. eta vs tors. theta energy: -145.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1654.097717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.097717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.097717 (E_RNA)
where:
Base-Base interactions energy: -1145.805
where: short stacking energy: -507.719
Base-Backbone interact. energy: -2.739
local terms energy: -505.553768
where:
bonds (distance) C4'-P energy: -79.726
bonds (distance) P-C4' energy: -90.465
flat angles C4'-P-C4' energy: -107.258
flat angles P-C4'-P energy: -73.516
tors. eta vs tors. theta energy: -154.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1547.559233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.559233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.559233 (E_RNA)
where:
Base-Base interactions energy: -1056.550
where: short stacking energy: -440.919
Base-Backbone interact. energy: -1.508
local terms energy: -489.500929
where:
bonds (distance) C4'-P energy: -98.002
bonds (distance) P-C4' energy: -93.585
flat angles C4'-P-C4' energy: -100.425
flat angles P-C4'-P energy: -76.595
tors. eta vs tors. theta energy: -120.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1396.890355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.890355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.890355 (E_RNA)
where:
Base-Base interactions energy: -936.669
where: short stacking energy: -407.976
Base-Backbone interact. energy: 4.711
local terms energy: -464.932693
where:
bonds (distance) C4'-P energy: -92.355
bonds (distance) P-C4' energy: -95.155
flat angles C4'-P-C4' energy: -93.583
flat angles P-C4'-P energy: -66.496
tors. eta vs tors. theta energy: -117.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1261.886145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.886145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.886145 (E_RNA)
where:
Base-Base interactions energy: -832.118
where: short stacking energy: -341.506
Base-Backbone interact. energy: -1.989
local terms energy: -427.778765
where:
bonds (distance) C4'-P energy: -94.263
bonds (distance) P-C4' energy: -112.321
flat angles C4'-P-C4' energy: -76.501
flat angles P-C4'-P energy: -71.188
tors. eta vs tors. theta energy: -73.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1080.774451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.774451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.774451 (E_RNA)
where:
Base-Base interactions energy: -686.564
where: short stacking energy: -301.023
Base-Backbone interact. energy: -1.076
local terms energy: -393.134282
where:
bonds (distance) C4'-P energy: -91.508
bonds (distance) P-C4' energy: -89.020
flat angles C4'-P-C4' energy: -92.983
flat angles P-C4'-P energy: -57.244
tors. eta vs tors. theta energy: -62.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1013.994716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.994716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.994716 (E_RNA)
where:
Base-Base interactions energy: -658.963
where: short stacking energy: -301.534
Base-Backbone interact. energy: -1.409
local terms energy: -353.622971
where:
bonds (distance) C4'-P energy: -66.037
bonds (distance) P-C4' energy: -90.550
flat angles C4'-P-C4' energy: -83.286
flat angles P-C4'-P energy: -57.982
tors. eta vs tors. theta energy: -55.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -915.894787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.894787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.894787 (E_RNA)
where:
Base-Base interactions energy: -536.013
where: short stacking energy: -245.805
Base-Backbone interact. energy: -4.171
local terms energy: -375.711128
where:
bonds (distance) C4'-P energy: -84.992
bonds (distance) P-C4' energy: -92.719
flat angles C4'-P-C4' energy: -83.758
flat angles P-C4'-P energy: -48.621
tors. eta vs tors. theta energy: -65.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -552.004635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.004635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.004635 (E_RNA)
where:
Base-Base interactions energy: -245.247
where: short stacking energy: -149.742
Base-Backbone interact. energy: 1.469
local terms energy: -308.226763
where:
bonds (distance) C4'-P energy: -89.242
bonds (distance) P-C4' energy: -91.362
flat angles C4'-P-C4' energy: -81.174
flat angles P-C4'-P energy: -35.729
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1715.806729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.806729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.806729 (E_RNA)
where:
Base-Base interactions energy: -1159.453
where: short stacking energy: -501.803
Base-Backbone interact. energy: -2.549
local terms energy: -553.805660
where:
bonds (distance) C4'-P energy: -114.727
bonds (distance) P-C4' energy: -97.047
flat angles C4'-P-C4' energy: -113.315
flat angles P-C4'-P energy: -80.890
tors. eta vs tors. theta energy: -147.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1686.277091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.277091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.277091 (E_RNA)
where:
Base-Base interactions energy: -1176.352
where: short stacking energy: -501.651
Base-Backbone interact. energy: -2.119
local terms energy: -507.806761
where:
bonds (distance) C4'-P energy: -98.328
bonds (distance) P-C4' energy: -84.972
flat angles C4'-P-C4' energy: -112.125
flat angles P-C4'-P energy: -76.404
tors. eta vs tors. theta energy: -135.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1651.458060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.458060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.458060 (E_RNA)
where:
Base-Base interactions energy: -1116.972
where: short stacking energy: -494.405
Base-Backbone interact. energy: -1.887
local terms energy: -532.598828
where:
bonds (distance) C4'-P energy: -99.867
bonds (distance) P-C4' energy: -96.901
flat angles C4'-P-C4' energy: -105.880
flat angles P-C4'-P energy: -73.447
tors. eta vs tors. theta energy: -156.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1595.923815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.923815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.923815 (E_RNA)
where:
Base-Base interactions energy: -1094.365
where: short stacking energy: -470.609
Base-Backbone interact. energy: -2.702
local terms energy: -498.857040
where:
bonds (distance) C4'-P energy: -101.039
bonds (distance) P-C4' energy: -90.536
flat angles C4'-P-C4' energy: -107.851
flat angles P-C4'-P energy: -61.991
tors. eta vs tors. theta energy: -137.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1386.855750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.855750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.855750 (E_RNA)
where:
Base-Base interactions energy: -930.154
where: short stacking energy: -406.644
Base-Backbone interact. energy: 1.687
local terms energy: -458.389147
where:
bonds (distance) C4'-P energy: -88.006
bonds (distance) P-C4' energy: -86.490
flat angles C4'-P-C4' energy: -107.827
flat angles P-C4'-P energy: -67.090
tors. eta vs tors. theta energy: -108.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1271.452828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.452828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.452828 (E_RNA)
where:
Base-Base interactions energy: -826.984
where: short stacking energy: -357.047
Base-Backbone interact. energy: -0.480
local terms energy: -443.989046
where:
bonds (distance) C4'-P energy: -85.172
bonds (distance) P-C4' energy: -97.772
flat angles C4'-P-C4' energy: -107.959
flat angles P-C4'-P energy: -67.591
tors. eta vs tors. theta energy: -85.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1044.859319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.859319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.859319 (E_RNA)
where:
Base-Base interactions energy: -653.571
where: short stacking energy: -281.879
Base-Backbone interact. energy: -0.469
local terms energy: -390.819939
where:
bonds (distance) C4'-P energy: -100.476
bonds (distance) P-C4' energy: -90.213
flat angles C4'-P-C4' energy: -78.990
flat angles P-C4'-P energy: -49.231
tors. eta vs tors. theta energy: -71.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1046.956725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.956725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.956725 (E_RNA)
where:
Base-Base interactions energy: -701.119
where: short stacking energy: -315.566
Base-Backbone interact. energy: 0.086
local terms energy: -345.924588
where:
bonds (distance) C4'-P energy: -55.706
bonds (distance) P-C4' energy: -77.600
flat angles C4'-P-C4' energy: -91.962
flat angles P-C4'-P energy: -53.602
tors. eta vs tors. theta energy: -67.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -874.796055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.796055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.796055 (E_RNA)
where:
Base-Base interactions energy: -506.819
where: short stacking energy: -244.088
Base-Backbone interact. energy: -1.258
local terms energy: -366.719308
where:
bonds (distance) C4'-P energy: -91.208
bonds (distance) P-C4' energy: -101.536
flat angles C4'-P-C4' energy: -80.599
flat angles P-C4'-P energy: -54.147
tors. eta vs tors. theta energy: -39.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -499.740717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.740717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.740717 (E_RNA)
where:
Base-Base interactions energy: -227.046
where: short stacking energy: -127.252
Base-Backbone interact. energy: -2.201
local terms energy: -270.493643
where:
bonds (distance) C4'-P energy: -89.461
bonds (distance) P-C4' energy: -89.139
flat angles C4'-P-C4' energy: -71.128
flat angles P-C4'-P energy: -36.511
tors. eta vs tors. theta energy: 15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1730.523905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.523905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.523905 (E_RNA)
where:
Base-Base interactions energy: -1180.486
where: short stacking energy: -516.754
Base-Backbone interact. energy: -0.978
local terms energy: -549.059607
where:
bonds (distance) C4'-P energy: -98.177
bonds (distance) P-C4' energy: -102.437
flat angles C4'-P-C4' energy: -113.785
flat angles P-C4'-P energy: -75.991
tors. eta vs tors. theta energy: -158.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1683.969741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.969741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.969741 (E_RNA)
where:
Base-Base interactions energy: -1145.207
where: short stacking energy: -489.776
Base-Backbone interact. energy: -2.694
local terms energy: -536.068769
where:
bonds (distance) C4'-P energy: -101.054
bonds (distance) P-C4' energy: -109.092
flat angles C4'-P-C4' energy: -112.382
flat angles P-C4'-P energy: -63.030
tors. eta vs tors. theta energy: -150.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1641.496109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.496109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.496109 (E_RNA)
where:
Base-Base interactions energy: -1139.502
where: short stacking energy: -485.464
Base-Backbone interact. energy: -2.681
local terms energy: -499.313582
where:
bonds (distance) C4'-P energy: -81.427
bonds (distance) P-C4' energy: -92.726
flat angles C4'-P-C4' energy: -95.924
flat angles P-C4'-P energy: -75.912
tors. eta vs tors. theta energy: -153.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1592.381372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.381372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.381372 (E_RNA)
where:
Base-Base interactions energy: -1109.670
where: short stacking energy: -478.917
Base-Backbone interact. energy: -1.842
local terms energy: -480.869567
where:
bonds (distance) C4'-P energy: -80.783
bonds (distance) P-C4' energy: -81.755
flat angles C4'-P-C4' energy: -105.157
flat angles P-C4'-P energy: -75.996
tors. eta vs tors. theta energy: -137.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1392.215986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.215986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.215986 (E_RNA)
where:
Base-Base interactions energy: -937.943
where: short stacking energy: -395.459
Base-Backbone interact. energy: 0.138
local terms energy: -454.411125
where:
bonds (distance) C4'-P energy: -88.385
bonds (distance) P-C4' energy: -101.074
flat angles C4'-P-C4' energy: -99.406
flat angles P-C4'-P energy: -60.270
tors. eta vs tors. theta energy: -105.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1311.797282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.797282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.797282 (E_RNA)
where:
Base-Base interactions energy: -886.097
where: short stacking energy: -373.504
Base-Backbone interact. energy: -0.774
local terms energy: -424.926538
where:
bonds (distance) C4'-P energy: -72.696
bonds (distance) P-C4' energy: -93.388
flat angles C4'-P-C4' energy: -93.389
flat angles P-C4'-P energy: -70.221
tors. eta vs tors. theta energy: -95.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1090.232197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.232197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.232197 (E_RNA)
where:
Base-Base interactions energy: -702.196
where: short stacking energy: -320.963
Base-Backbone interact. energy: -1.640
local terms energy: -386.396105
where:
bonds (distance) C4'-P energy: -71.133
bonds (distance) P-C4' energy: -75.134
flat angles C4'-P-C4' energy: -84.450
flat angles P-C4'-P energy: -68.474
tors. eta vs tors. theta energy: -87.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -956.749488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.749488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.749488 (E_RNA)
where:
Base-Base interactions energy: -614.095
where: short stacking energy: -261.317
Base-Backbone interact. energy: -2.583
local terms energy: -340.072391
where:
bonds (distance) C4'-P energy: -73.389
bonds (distance) P-C4' energy: -88.510
flat angles C4'-P-C4' energy: -101.503
flat angles P-C4'-P energy: -32.436
tors. eta vs tors. theta energy: -44.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -890.425425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.425425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.425425 (E_RNA)
where:
Base-Base interactions energy: -544.514
where: short stacking energy: -253.484
Base-Backbone interact. energy: 0.229
local terms energy: -346.140809
where:
bonds (distance) C4'-P energy: -62.584
bonds (distance) P-C4' energy: -81.264
flat angles C4'-P-C4' energy: -85.842
flat angles P-C4'-P energy: -71.430
tors. eta vs tors. theta energy: -45.021
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: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -552.165586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.165586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.165586 (E_RNA)
where:
Base-Base interactions energy: -279.841
where: short stacking energy: -165.898
Base-Backbone interact. energy: 3.206
local terms energy: -275.530583
where:
bonds (distance) C4'-P energy: -55.876
bonds (distance) P-C4' energy: -91.649
flat angles C4'-P-C4' energy: -74.751
flat angles P-C4'-P energy: -54.836
tors. eta vs tors. theta energy: 1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1746.969060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.969060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.969060 (E_RNA)
where:
Base-Base interactions energy: -1186.842
where: short stacking energy: -514.289
Base-Backbone interact. energy: -1.964
local terms energy: -558.163168
where:
bonds (distance) C4'-P energy: -106.361
bonds (distance) P-C4' energy: -107.577
flat angles C4'-P-C4' energy: -114.858
flat angles P-C4'-P energy: -81.298
tors. eta vs tors. theta energy: -148.069
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: 2, replica: 8
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1723.997219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.997219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.997219 (E_RNA)
where:
Base-Base interactions energy: -1177.593
where: short stacking energy: -503.871
Base-Backbone interact. energy: -0.325
local terms energy: -546.078785
where:
bonds (distance) C4'-P energy: -101.969
bonds (distance) P-C4' energy: -104.576
flat angles C4'-P-C4' energy: -121.046
flat angles P-C4'-P energy: -73.527
tors. eta vs tors. theta energy: -144.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1640.995132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.995132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.995132 (E_RNA)
where:
Base-Base interactions energy: -1092.291
where: short stacking energy: -495.340
Base-Backbone interact. energy: -3.486
local terms energy: -545.218263
where:
bonds (distance) C4'-P energy: -93.939
bonds (distance) P-C4' energy: -110.515
flat angles C4'-P-C4' energy: -118.352
flat angles P-C4'-P energy: -69.781
tors. eta vs tors. theta energy: -152.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1531.848296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.848296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.848296 (E_RNA)
where:
Base-Base interactions energy: -1048.249
where: short stacking energy: -453.824
Base-Backbone interact. energy: -1.416
local terms energy: -482.183876
where:
bonds (distance) C4'-P energy: -95.874
bonds (distance) P-C4' energy: -100.447
flat angles C4'-P-C4' energy: -99.117
flat angles P-C4'-P energy: -66.290
tors. eta vs tors. theta energy: -120.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1387.946958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.946958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.946958 (E_RNA)
where:
Base-Base interactions energy: -927.634
where: short stacking energy: -396.446
Base-Backbone interact. energy: 2.517
local terms energy: -462.830623
where:
bonds (distance) C4'-P energy: -92.490
bonds (distance) P-C4' energy: -89.609
flat angles C4'-P-C4' energy: -98.939
flat angles P-C4'-P energy: -72.546
tors. eta vs tors. theta energy: -109.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1273.485426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.485426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.485426 (E_RNA)
where:
Base-Base interactions energy: -869.892
where: short stacking energy: -373.113
Base-Backbone interact. energy: -1.847
local terms energy: -401.746501
where:
bonds (distance) C4'-P energy: -71.415
bonds (distance) P-C4' energy: -90.825
flat angles C4'-P-C4' energy: -82.795
flat angles P-C4'-P energy: -55.887
tors. eta vs tors. theta energy: -100.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1113.363835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.363835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.363835 (E_RNA)
where:
Base-Base interactions energy: -718.866
where: short stacking energy: -325.250
Base-Backbone interact. energy: -1.795
local terms energy: -392.703242
where:
bonds (distance) C4'-P energy: -95.502
bonds (distance) P-C4' energy: -84.671
flat angles C4'-P-C4' energy: -83.981
flat angles P-C4'-P energy: -55.595
tors. eta vs tors. theta energy: -72.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1015.292651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.292651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.292651 (E_RNA)
where:
Base-Base interactions energy: -618.157
where: short stacking energy: -296.172
Base-Backbone interact. energy: 2.648
local terms energy: -399.783590
where:
bonds (distance) C4'-P energy: -90.101
bonds (distance) P-C4' energy: -88.721
flat angles C4'-P-C4' energy: -97.553
flat angles P-C4'-P energy: -62.350
tors. eta vs tors. theta energy: -61.059
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: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -838.464828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.464828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.464828 (E_RNA)
where:
Base-Base interactions energy: -468.765
where: short stacking energy: -220.201
Base-Backbone interact. energy: 0.827
local terms energy: -370.527142
where:
bonds (distance) C4'-P energy: -86.509
bonds (distance) P-C4' energy: -100.770
flat angles C4'-P-C4' energy: -89.169
flat angles P-C4'-P energy: -46.295
tors. eta vs tors. theta energy: -47.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -585.474792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.474792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.474792 (E_RNA)
where:
Base-Base interactions energy: -296.734
where: short stacking energy: -151.510
Base-Backbone interact. energy: -0.196
local terms energy: -288.544371
where:
bonds (distance) C4'-P energy: -97.465
bonds (distance) P-C4' energy: -86.118
flat angles C4'-P-C4' energy: -76.917
flat angles P-C4'-P energy: -24.961
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1778.529083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.529083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.529083 (E_RNA)
where:
Base-Base interactions energy: -1210.849
where: short stacking energy: -526.755
Base-Backbone interact. energy: -0.400
local terms energy: -567.279984
where:
bonds (distance) C4'-P energy: -115.998
bonds (distance) P-C4' energy: -96.362
flat angles C4'-P-C4' energy: -123.251
flat angles P-C4'-P energy: -72.060
tors. eta vs tors. theta energy: -159.610
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: 2, replica: 8
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1677.795968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.795968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.795968 (E_RNA)
where:
Base-Base interactions energy: -1158.409
where: short stacking energy: -511.412
Base-Backbone interact. energy: -2.492
local terms energy: -516.894875
where:
bonds (distance) C4'-P energy: -86.517
bonds (distance) P-C4' energy: -103.374
flat angles C4'-P-C4' energy: -113.015
flat angles P-C4'-P energy: -69.464
tors. eta vs tors. theta energy: -144.524
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: 6
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1618.747533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.747533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.747533 (E_RNA)
where:
Base-Base interactions energy: -1087.085
where: short stacking energy: -499.502
Base-Backbone interact. energy: -1.601
local terms energy: -530.061587
where:
bonds (distance) C4'-P energy: -103.855
bonds (distance) P-C4' energy: -110.693
flat angles C4'-P-C4' energy: -106.234
flat angles P-C4'-P energy: -67.453
tors. eta vs tors. theta energy: -141.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1549.495917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.495917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.495917 (E_RNA)
where:
Base-Base interactions energy: -1066.484
where: short stacking energy: -465.347
Base-Backbone interact. energy: 3.957
local terms energy: -486.969488
where:
bonds (distance) C4'-P energy: -91.239
bonds (distance) P-C4' energy: -89.075
flat angles C4'-P-C4' energy: -107.112
flat angles P-C4'-P energy: -60.255
tors. eta vs tors. theta energy: -139.288
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: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1353.423261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.423261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.423261 (E_RNA)
where:
Base-Base interactions energy: -907.538
where: short stacking energy: -384.194
Base-Backbone interact. energy: -3.543
local terms energy: -442.342243
where:
bonds (distance) C4'-P energy: -94.472
bonds (distance) P-C4' energy: -91.360
flat angles C4'-P-C4' energy: -100.114
flat angles P-C4'-P energy: -64.016
tors. eta vs tors. theta energy: -92.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1383.433516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.433516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.433516 (E_RNA)
where:
Base-Base interactions energy: -911.027
where: short stacking energy: -410.516
Base-Backbone interact. energy: -1.669
local terms energy: -470.737549
where:
bonds (distance) C4'-P energy: -88.042
bonds (distance) P-C4' energy: -105.645
flat angles C4'-P-C4' energy: -105.584
flat angles P-C4'-P energy: -62.331
tors. eta vs tors. theta energy: -109.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1122.769130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.769130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.769130 (E_RNA)
where:
Base-Base interactions energy: -731.909
where: short stacking energy: -341.954
Base-Backbone interact. energy: -2.105
local terms energy: -388.754692
where:
bonds (distance) C4'-P energy: -80.172
bonds (distance) P-C4' energy: -82.696
flat angles C4'-P-C4' energy: -103.513
flat angles P-C4'-P energy: -50.609
tors. eta vs tors. theta energy: -71.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -955.877427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.877427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.877427 (E_RNA)
where:
Base-Base interactions energy: -603.958
where: short stacking energy: -253.753
Base-Backbone interact. energy: -0.998
local terms energy: -350.921941
where:
bonds (distance) C4'-P energy: -92.950
bonds (distance) P-C4' energy: -86.500
flat angles C4'-P-C4' energy: -81.580
flat angles P-C4'-P energy: -47.053
tors. eta vs tors. theta energy: -42.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -838.418665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.418665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.418665 (E_RNA)
where:
Base-Base interactions energy: -506.846
where: short stacking energy: -234.625
Base-Backbone interact. energy: -0.685
local terms energy: -330.887252
where:
bonds (distance) C4'-P energy: -78.202
bonds (distance) P-C4' energy: -92.494
flat angles C4'-P-C4' energy: -76.378
flat angles P-C4'-P energy: -51.350
tors. eta vs tors. theta energy: -32.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -585.467167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.467167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.467167 (E_RNA)
where:
Base-Base interactions energy: -307.402
where: short stacking energy: -127.997
Base-Backbone interact. energy: 5.336
local terms energy: -283.400806
where:
bonds (distance) C4'-P energy: -80.255
bonds (distance) P-C4' energy: -96.399
flat angles C4'-P-C4' energy: -83.654
flat angles P-C4'-P energy: -39.291
tors. eta vs tors. theta energy: 16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1759.677941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.677941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.677941 (E_RNA)
where:
Base-Base interactions energy: -1193.951
where: short stacking energy: -503.154
Base-Backbone interact. energy: 0.244
local terms energy: -565.971209
where:
bonds (distance) C4'-P energy: -109.907
bonds (distance) P-C4' energy: -107.402
flat angles C4'-P-C4' energy: -115.611
flat angles P-C4'-P energy: -78.105
tors. eta vs tors. theta energy: -154.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1658.108209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.108209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.108209 (E_RNA)
where:
Base-Base interactions energy: -1121.389
where: short stacking energy: -493.835
Base-Backbone interact. energy: -0.888
local terms energy: -535.832057
where:
bonds (distance) C4'-P energy: -99.495
bonds (distance) P-C4' energy: -96.517
flat angles C4'-P-C4' energy: -115.524
flat angles P-C4'-P energy: -67.723
tors. eta vs tors. theta energy: -156.573
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: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1674.155640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.155640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.155640 (E_RNA)
where:
Base-Base interactions energy: -1128.984
where: short stacking energy: -503.052
Base-Backbone interact. energy: -1.912
local terms energy: -543.259898
where:
bonds (distance) C4'-P energy: -93.706
bonds (distance) P-C4' energy: -108.791
flat angles C4'-P-C4' energy: -113.192
flat angles P-C4'-P energy: -77.722
tors. eta vs tors. theta energy: -149.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1554.270511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.270511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.270511 (E_RNA)
where:
Base-Base interactions energy: -1066.041
where: short stacking energy: -455.834
Base-Backbone interact. energy: -2.129
local terms energy: -486.100331
where:
bonds (distance) C4'-P energy: -91.139
bonds (distance) P-C4' energy: -102.263
flat angles C4'-P-C4' energy: -101.848
flat angles P-C4'-P energy: -59.624
tors. eta vs tors. theta energy: -131.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1383.914578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.914578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.914578 (E_RNA)
where:
Base-Base interactions energy: -921.057
where: short stacking energy: -394.855
Base-Backbone interact. energy: 2.123
local terms energy: -464.981052
where:
bonds (distance) C4'-P energy: -77.804
bonds (distance) P-C4' energy: -95.455
flat angles C4'-P-C4' energy: -101.223
flat angles P-C4'-P energy: -81.937
tors. eta vs tors. theta energy: -108.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1422.588999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.588999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.588999 (E_RNA)
where:
Base-Base interactions energy: -972.929
where: short stacking energy: -433.198
Base-Backbone interact. energy: 1.694
local terms energy: -451.353810
where:
bonds (distance) C4'-P energy: -81.961
bonds (distance) P-C4' energy: -86.632
flat angles C4'-P-C4' energy: -109.880
flat angles P-C4'-P energy: -67.553
tors. eta vs tors. theta energy: -105.327
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: 7, replica: 7
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1128.853499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.853499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.853499 (E_RNA)
where:
Base-Base interactions energy: -737.686
where: short stacking energy: -332.497
Base-Backbone interact. energy: 0.590
local terms energy: -391.758137
where:
bonds (distance) C4'-P energy: -84.687
bonds (distance) P-C4' energy: -90.640
flat angles C4'-P-C4' energy: -84.609
flat angles P-C4'-P energy: -51.347
tors. eta vs tors. theta energy: -80.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1032.472274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.472274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.472274 (E_RNA)
where:
Base-Base interactions energy: -671.196
where: short stacking energy: -313.150
Base-Backbone interact. energy: -0.348
local terms energy: -360.928331
where:
bonds (distance) C4'-P energy: -76.116
bonds (distance) P-C4' energy: -100.544
flat angles C4'-P-C4' energy: -88.598
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -56.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -840.487180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.487180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.487180 (E_RNA)
where:
Base-Base interactions energy: -491.062
where: short stacking energy: -234.712
Base-Backbone interact. energy: -1.409
local terms energy: -348.015805
where:
bonds (distance) C4'-P energy: -85.095
bonds (distance) P-C4' energy: -85.280
flat angles C4'-P-C4' energy: -79.118
flat angles P-C4'-P energy: -56.130
tors. eta vs tors. theta energy: -42.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -497.233122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.233122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.233122 (E_RNA)
where:
Base-Base interactions energy: -251.948
where: short stacking energy: -173.399
Base-Backbone interact. energy: 8.001
local terms energy: -253.286242
where:
bonds (distance) C4'-P energy: -82.182
bonds (distance) P-C4' energy: -70.989
flat angles C4'-P-C4' energy: -58.323
flat angles P-C4'-P energy: -38.531
tors. eta vs tors. theta energy: -3.262
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: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1738.013859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.013859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.013859 (E_RNA)
where:
Base-Base interactions energy: -1199.660
where: short stacking energy: -515.603
Base-Backbone interact. energy: -0.790
local terms energy: -537.563577
where:
bonds (distance) C4'-P energy: -99.870
bonds (distance) P-C4' energy: -103.118
flat angles C4'-P-C4' energy: -117.226
flat angles P-C4'-P energy: -69.086
tors. eta vs tors. theta energy: -148.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1687.940522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.940522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.940522 (E_RNA)
where:
Base-Base interactions energy: -1130.470
where: short stacking energy: -494.974
Base-Backbone interact. energy: -0.682
local terms energy: -556.788628
where:
bonds (distance) C4'-P energy: -100.257
bonds (distance) P-C4' energy: -107.113
flat angles C4'-P-C4' energy: -117.941
flat angles P-C4'-P energy: -80.086
tors. eta vs tors. theta energy: -151.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1639.396492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.396492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.396492 (E_RNA)
where:
Base-Base interactions energy: -1131.722
where: short stacking energy: -501.404
Base-Backbone interact. energy: -1.788
local terms energy: -505.886164
where:
bonds (distance) C4'-P energy: -90.515
bonds (distance) P-C4' energy: -93.484
flat angles C4'-P-C4' energy: -115.287
flat angles P-C4'-P energy: -67.103
tors. eta vs tors. theta energy: -139.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1556.776138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.776138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.776138 (E_RNA)
where:
Base-Base interactions energy: -1047.575
where: short stacking energy: -454.805
Base-Backbone interact. energy: 1.030
local terms energy: -510.230951
where:
bonds (distance) C4'-P energy: -103.383
bonds (distance) P-C4' energy: -97.410
flat angles C4'-P-C4' energy: -99.670
flat angles P-C4'-P energy: -82.733
tors. eta vs tors. theta energy: -127.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1395.358796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.358796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.358796 (E_RNA)
where:
Base-Base interactions energy: -940.885
where: short stacking energy: -395.231
Base-Backbone interact. energy: -1.554
local terms energy: -452.919275
where:
bonds (distance) C4'-P energy: -90.868
bonds (distance) P-C4' energy: -99.555
flat angles C4'-P-C4' energy: -100.243
flat angles P-C4'-P energy: -53.066
tors. eta vs tors. theta energy: -109.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1355.335981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.335981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.335981 (E_RNA)
where:
Base-Base interactions energy: -883.345
where: short stacking energy: -387.801
Base-Backbone interact. energy: -1.275
local terms energy: -470.715706
where:
bonds (distance) C4'-P energy: -94.502
bonds (distance) P-C4' energy: -99.696
flat angles C4'-P-C4' energy: -91.776
flat angles P-C4'-P energy: -73.627
tors. eta vs tors. theta energy: -111.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1099.277926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.277926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.277926 (E_RNA)
where:
Base-Base interactions energy: -705.632
where: short stacking energy: -301.691
Base-Backbone interact. energy: 0.056
local terms energy: -393.701393
where:
bonds (distance) C4'-P energy: -85.094
bonds (distance) P-C4' energy: -84.660
flat angles C4'-P-C4' energy: -93.196
flat angles P-C4'-P energy: -59.660
tors. eta vs tors. theta energy: -71.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1048.152330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.152330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.152330 (E_RNA)
where:
Base-Base interactions energy: -668.075
where: short stacking energy: -298.697
Base-Backbone interact. energy: -3.739
local terms energy: -376.337646
where:
bonds (distance) C4'-P energy: -87.012
bonds (distance) P-C4' energy: -77.568
flat angles C4'-P-C4' energy: -87.678
flat angles P-C4'-P energy: -57.935
tors. eta vs tors. theta energy: -66.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -818.163982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.163982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.163982 (E_RNA)
where:
Base-Base interactions energy: -479.605
where: short stacking energy: -216.789
Base-Backbone interact. energy: 1.311
local terms energy: -339.869406
where:
bonds (distance) C4'-P energy: -83.271
bonds (distance) P-C4' energy: -79.470
flat angles C4'-P-C4' energy: -88.653
flat angles P-C4'-P energy: -49.575
tors. eta vs tors. theta energy: -38.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -588.684049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.684049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.684049 (E_RNA)
where:
Base-Base interactions energy: -287.999
where: short stacking energy: -151.222
Base-Backbone interact. energy: 1.420
local terms energy: -302.104959
where:
bonds (distance) C4'-P energy: -86.753
bonds (distance) P-C4' energy: -88.021
flat angles C4'-P-C4' energy: -71.396
flat angles P-C4'-P energy: -51.004
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1746.712450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.712450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.712450 (E_RNA)
where:
Base-Base interactions energy: -1203.090
where: short stacking energy: -512.560
Base-Backbone interact. energy: -1.036
local terms energy: -542.587185
where:
bonds (distance) C4'-P energy: -101.273
bonds (distance) P-C4' energy: -106.314
flat angles C4'-P-C4' energy: -101.500
flat angles P-C4'-P energy: -78.333
tors. eta vs tors. theta energy: -155.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1665.797600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.797600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.797600 (E_RNA)
where:
Base-Base interactions energy: -1127.235
where: short stacking energy: -479.674
Base-Backbone interact. energy: -3.036
local terms energy: -535.526790
where:
bonds (distance) C4'-P energy: -94.718
bonds (distance) P-C4' energy: -103.546
flat angles C4'-P-C4' energy: -114.604
flat angles P-C4'-P energy: -72.644
tors. eta vs tors. theta energy: -150.014
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: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1604.799732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.799732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.799732 (E_RNA)
where:
Base-Base interactions energy: -1104.914
where: short stacking energy: -492.418
Base-Backbone interact. energy: -1.622
local terms energy: -498.263238
where:
bonds (distance) C4'-P energy: -94.478
bonds (distance) P-C4' energy: -89.056
flat angles C4'-P-C4' energy: -109.699
flat angles P-C4'-P energy: -69.447
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: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1551.257867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.257867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.257867 (E_RNA)
where:
Base-Base interactions energy: -1057.320
where: short stacking energy: -464.726
Base-Backbone interact. energy: -3.699
local terms energy: -490.238826
where:
bonds (distance) C4'-P energy: -84.256
bonds (distance) P-C4' energy: -98.726
flat angles C4'-P-C4' energy: -110.599
flat angles P-C4'-P energy: -66.078
tors. eta vs tors. theta energy: -130.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1385.429868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.429868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.429868 (E_RNA)
where:
Base-Base interactions energy: -919.030
where: short stacking energy: -382.000
Base-Backbone interact. energy: -2.911
local terms energy: -463.488907
where:
bonds (distance) C4'-P energy: -102.010
bonds (distance) P-C4' energy: -90.019
flat angles C4'-P-C4' energy: -109.287
flat angles P-C4'-P energy: -55.795
tors. eta vs tors. theta energy: -106.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1369.732460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.732460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.732460 (E_RNA)
where:
Base-Base interactions energy: -913.356
where: short stacking energy: -382.390
Base-Backbone interact. energy: 1.071
local terms energy: -457.447243
where:
bonds (distance) C4'-P energy: -83.777
bonds (distance) P-C4' energy: -100.551
flat angles C4'-P-C4' energy: -87.759
flat angles P-C4'-P energy: -70.843
tors. eta vs tors. theta energy: -114.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1090.747876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.747876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.747876 (E_RNA)
where:
Base-Base interactions energy: -704.225
where: short stacking energy: -319.779
Base-Backbone interact. energy: -0.004
local terms energy: -386.519060
where:
bonds (distance) C4'-P energy: -73.208
bonds (distance) P-C4' energy: -80.323
flat angles C4'-P-C4' energy: -94.524
flat angles P-C4'-P energy: -61.372
tors. eta vs tors. theta energy: -77.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1049.942381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.942381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.942381 (E_RNA)
where:
Base-Base interactions energy: -671.616
where: short stacking energy: -308.292
Base-Backbone interact. energy: 0.054
local terms energy: -378.379967
where:
bonds (distance) C4'-P energy: -66.910
bonds (distance) P-C4' energy: -84.520
flat angles C4'-P-C4' energy: -100.743
flat angles P-C4'-P energy: -56.117
tors. eta vs tors. theta energy: -70.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -876.611451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.611451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.611451 (E_RNA)
where:
Base-Base interactions energy: -542.867
where: short stacking energy: -235.015
Base-Backbone interact. energy: -3.744
local terms energy: -330.000366
where:
bonds (distance) C4'-P energy: -72.629
bonds (distance) P-C4' energy: -89.805
flat angles C4'-P-C4' energy: -79.538
flat angles P-C4'-P energy: -57.931
tors. eta vs tors. theta energy: -30.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -534.642295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.642295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.642295 (E_RNA)
where:
Base-Base interactions energy: -243.851
where: short stacking energy: -142.088
Base-Backbone interact. energy: 0.319
local terms energy: -291.110173
where:
bonds (distance) C4'-P energy: -88.073
bonds (distance) P-C4' energy: -95.257
flat angles C4'-P-C4' energy: -72.988
flat angles P-C4'-P energy: -52.680
tors. eta vs tors. theta energy: 17.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1758.568186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.568186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.568186 (E_RNA)
where:
Base-Base interactions energy: -1207.953
where: short stacking energy: -505.533
Base-Backbone interact. energy: 3.050
local terms energy: -553.666074
where:
bonds (distance) C4'-P energy: -91.514
bonds (distance) P-C4' energy: -111.983
flat angles C4'-P-C4' energy: -120.398
flat angles P-C4'-P energy: -79.033
tors. eta vs tors. theta energy: -150.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1734.262793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.262793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.262793 (E_RNA)
where:
Base-Base interactions energy: -1185.070
where: short stacking energy: -519.353
Base-Backbone interact. energy: -2.167
local terms energy: -547.025529
where:
bonds (distance) C4'-P energy: -99.661
bonds (distance) P-C4' energy: -102.563
flat angles C4'-P-C4' energy: -103.032
flat angles P-C4'-P energy: -77.964
tors. eta vs tors. theta energy: -163.804
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: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1601.874630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.874630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.874630 (E_RNA)
where:
Base-Base interactions energy: -1083.135
where: short stacking energy: -455.143
Base-Backbone interact. energy: -0.533
local terms energy: -518.206060
where:
bonds (distance) C4'-P energy: -97.416
bonds (distance) P-C4' energy: -104.957
flat angles C4'-P-C4' energy: -112.507
flat angles P-C4'-P energy: -69.451
tors. eta vs tors. theta energy: -133.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1502.420447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.420447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.420447 (E_RNA)
where:
Base-Base interactions energy: -1027.997
where: short stacking energy: -441.811
Base-Backbone interact. energy: -0.549
local terms energy: -473.874860
where:
bonds (distance) C4'-P energy: -82.779
bonds (distance) P-C4' energy: -105.291
flat angles C4'-P-C4' energy: -90.081
flat angles P-C4'-P energy: -68.680
tors. eta vs tors. theta energy: -127.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1454.808755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.808755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.808755 (E_RNA)
where:
Base-Base interactions energy: -975.502
where: short stacking energy: -424.722
Base-Backbone interact. energy: 0.791
local terms energy: -480.097089
where:
bonds (distance) C4'-P energy: -107.688
bonds (distance) P-C4' energy: -82.858
flat angles C4'-P-C4' energy: -107.162
flat angles P-C4'-P energy: -70.854
tors. eta vs tors. theta energy: -111.535
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: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1326.028518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.028518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.028518 (E_RNA)
where:
Base-Base interactions energy: -877.687
where: short stacking energy: -394.797
Base-Backbone interact. energy: -1.266
local terms energy: -447.075648
where:
bonds (distance) C4'-P energy: -79.310
bonds (distance) P-C4' energy: -79.669
flat angles C4'-P-C4' energy: -105.103
flat angles P-C4'-P energy: -81.961
tors. eta vs tors. theta energy: -101.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1127.264782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.264782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.264782 (E_RNA)
where:
Base-Base interactions energy: -744.278
where: short stacking energy: -323.534
Base-Backbone interact. energy: -1.248
local terms energy: -381.738899
where:
bonds (distance) C4'-P energy: -86.341
bonds (distance) P-C4' energy: -75.864
flat angles C4'-P-C4' energy: -90.917
flat angles P-C4'-P energy: -57.912
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: 8, replica: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1036.020421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.020421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.020421 (E_RNA)
where:
Base-Base interactions energy: -633.874
where: short stacking energy: -287.510
Base-Backbone interact. energy: -0.286
local terms energy: -401.860639
where:
bonds (distance) C4'-P energy: -78.417
bonds (distance) P-C4' energy: -110.223
flat angles C4'-P-C4' energy: -94.333
flat angles P-C4'-P energy: -52.355
tors. eta vs tors. theta energy: -66.533
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: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -887.157100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.157100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.157100 (E_RNA)
where:
Base-Base interactions energy: -532.715
where: short stacking energy: -250.162
Base-Backbone interact. energy: 0.536
local terms energy: -354.977797
where:
bonds (distance) C4'-P energy: -78.697
bonds (distance) P-C4' energy: -86.137
flat angles C4'-P-C4' energy: -89.437
flat angles P-C4'-P energy: -60.635
tors. eta vs tors. theta energy: -40.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -540.136840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.136840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.136840 (E_RNA)
where:
Base-Base interactions energy: -259.861
where: short stacking energy: -168.068
Base-Backbone interact. energy: -1.301
local terms energy: -278.975609
where:
bonds (distance) C4'-P energy: -75.093
bonds (distance) P-C4' energy: -86.858
flat angles C4'-P-C4' energy: -71.294
flat angles P-C4'-P energy: -28.887
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1777.976620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.976620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.976620 (E_RNA)
where:
Base-Base interactions energy: -1218.292
where: short stacking energy: -530.992
Base-Backbone interact. energy: -1.927
local terms energy: -557.757642
where:
bonds (distance) C4'-P energy: -94.632
bonds (distance) P-C4' energy: -107.554
flat angles C4'-P-C4' energy: -125.230
flat angles P-C4'-P energy: -74.674
tors. eta vs tors. theta energy: -155.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1716.332581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.332581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.332581 (E_RNA)
where:
Base-Base interactions energy: -1164.941
where: short stacking energy: -526.543
Base-Backbone interact. energy: -0.175
local terms energy: -551.216786
where:
bonds (distance) C4'-P energy: -99.211
bonds (distance) P-C4' energy: -97.576
flat angles C4'-P-C4' energy: -113.878
flat angles P-C4'-P energy: -74.213
tors. eta vs tors. theta energy: -166.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1616.176427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.176427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.176427 (E_RNA)
where:
Base-Base interactions energy: -1093.223
where: short stacking energy: -462.053
Base-Backbone interact. energy: -0.820
local terms energy: -522.132703
where:
bonds (distance) C4'-P energy: -98.999
bonds (distance) P-C4' energy: -106.417
flat angles C4'-P-C4' energy: -112.074
flat angles P-C4'-P energy: -71.522
tors. eta vs tors. theta energy: -133.121
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: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1480.317042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.317042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.317042 (E_RNA)
where:
Base-Base interactions energy: -1005.744
where: short stacking energy: -448.321
Base-Backbone interact. energy: 1.142
local terms energy: -475.715151
where:
bonds (distance) C4'-P energy: -79.222
bonds (distance) P-C4' energy: -97.936
flat angles C4'-P-C4' energy: -107.706
flat angles P-C4'-P energy: -59.011
tors. eta vs tors. theta energy: -131.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1467.309135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.309135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.309135 (E_RNA)
where:
Base-Base interactions energy: -984.283
where: short stacking energy: -402.465
Base-Backbone interact. energy: -2.946
local terms energy: -480.079578
where:
bonds (distance) C4'-P energy: -105.899
bonds (distance) P-C4' energy: -94.860
flat angles C4'-P-C4' energy: -107.769
flat angles P-C4'-P energy: -63.100
tors. eta vs tors. theta energy: -108.452
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: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1368.947377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.947377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.947377 (E_RNA)
where:
Base-Base interactions energy: -906.684
where: short stacking energy: -392.377
Base-Backbone interact. energy: -0.674
local terms energy: -461.589268
where:
bonds (distance) C4'-P energy: -80.085
bonds (distance) P-C4' energy: -97.431
flat angles C4'-P-C4' energy: -98.501
flat angles P-C4'-P energy: -74.090
tors. eta vs tors. theta energy: -111.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1167.685124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.685124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.685124 (E_RNA)
where:
Base-Base interactions energy: -744.153
where: short stacking energy: -331.401
Base-Backbone interact. energy: 0.212
local terms energy: -423.743815
where:
bonds (distance) C4'-P energy: -81.146
bonds (distance) P-C4' energy: -108.048
flat angles C4'-P-C4' energy: -98.225
flat angles P-C4'-P energy: -54.698
tors. eta vs tors. theta energy: -81.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1038.860247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.860247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.860247 (E_RNA)
where:
Base-Base interactions energy: -661.183
where: short stacking energy: -287.776
Base-Backbone interact. energy: -0.602
local terms energy: -377.074876
where:
bonds (distance) C4'-P energy: -77.491
bonds (distance) P-C4' energy: -101.840
flat angles C4'-P-C4' energy: -89.085
flat angles P-C4'-P energy: -51.181
tors. eta vs tors. theta energy: -57.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -880.569333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.569333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.569333 (E_RNA)
where:
Base-Base interactions energy: -517.271
where: short stacking energy: -251.918
Base-Backbone interact. energy: -1.419
local terms energy: -361.878889
where:
bonds (distance) C4'-P energy: -92.616
bonds (distance) P-C4' energy: -96.939
flat angles C4'-P-C4' energy: -79.422
flat angles P-C4'-P energy: -46.993
tors. eta vs tors. theta energy: -45.909
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: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -515.251892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.251892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.251892 (E_RNA)
where:
Base-Base interactions energy: -233.115
where: short stacking energy: -138.558
Base-Backbone interact. energy: 4.321
local terms energy: -286.457388
where:
bonds (distance) C4'-P energy: -75.413
bonds (distance) P-C4' energy: -95.376
flat angles C4'-P-C4' energy: -83.321
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: 10.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 117757448
moves confirmed later: 136960429
all moves confirmed: 254717877
percent of confirmed moves: 31.839735
current total energy: -1671.035398
recalc. total energy: -1671.035398
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 104237470
moves confirmed later: 119278398
all moves confirmed: 223515868
percent of confirmed moves: 27.939484
current total energy: -1571.453216
recalc. total energy: -1571.453216
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 96682522
moves confirmed later: 109776097
all moves confirmed: 206458619
percent of confirmed moves: 25.807327
current total energy: -1525.374626
recalc. total energy: -1525.374626
replica 5 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 107779727
moves confirmed later: 123290522
all moves confirmed: 231070249
percent of confirmed moves: 28.883781
current total energy: -1350.810174
recalc. total energy: -1350.810174
replica 3 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 101153385
moves confirmed later: 114346797
all moves confirmed: 215500182
percent of confirmed moves: 26.937523
current total energy: -1309.742641
recalc. total energy: -1309.742641
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 153515273
moves confirmed later: 184335314
all moves confirmed: 337850587
percent of confirmed moves: 42.231323
current total energy: -1208.249281
recalc. total energy: -1208.249281
replica 7 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 135381517
moves confirmed later: 159616512
all moves confirmed: 294998029
percent of confirmed moves: 36.874754
current total energy: -1069.931569
recalc. total energy: -1069.931569
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 151400361
moves confirmed later: 181293130
all moves confirmed: 332693491
percent of confirmed moves: 41.586686
current total energy: -866.377901
recalc. total energy: -866.377901
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 177369784
moves confirmed later: 215357514
all moves confirmed: 392727298
percent of confirmed moves: 49.090912
current total energy: -764.454128
recalc. total energy: -764.454128
replica 10 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 117172033
moves confirmed later: 135772606
all moves confirmed: 252944639
percent of confirmed moves: 31.618080
current total energy: -370.244497
recalc. total energy: -370.244497
out arg RESULTS//1/RydC_and_cfa_1741277-a41e1348_01
Time of doing 8000000 iterations: 31281.235 seconds